CAS 302-17-0 MFCD00044479-Chloral Hydrate 氯醛水合物 TAO{mole}

Chloral Hydrate 氯醛水合物

CAS 302-17-0 MFCD00044479

化学结构图

SMILES:

化学属性

Mol. Formula	C2H3Cl3O2
Mol. Weight	165.39 g/mol
Density	1.424
Melting Point	57
Boiling Point	96
Solubility	660 G/100 ML
Stability	对湿度、光和空气敏感
Flash Point	16 °C
Appearance	无色单斜片状结晶。熔点53-57℃。溶于水、乙醇和醚。1ml水可溶解水合氯醛：0℃时2.4g；25℃8.3g；40℃14.3g。1g水合氯醛可溶于：1.3ml乙醇，2ml氯仿，1.5ml乙醚。

别名和识别编码

Chemical Name	Chloral Hydrate
CAS Number	302-17-0
PubChem Substance ID	57648021
Beilstein Registry Number	1698497
MDL Number	MFCD00044479
Synonym	'GROUND JOINT SEPARATIO 1,1,1-Trichloro-2,2-dihydroxyethane 1-乙二醇 2,2,2-Trichlor-1,1-ethandiol 2,2,2-Trichloracetaldehydhydrat 2,2,2-trichloroethane-1,1-diol Amylofene Bi 3411 Chloral Hydrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number	206-117-5
Reaxys-RN	1698497
Merck Number	2071
Chemical Name Translation	氯醛水合物
Wiswesser Line Notation	QYQXGGG
LabNetwork Molecule ID	LN00221595

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产品应用

银的检定的测定。有机合成制造三氯乙酸、DDT、催眠药。镀镍光亮剂。

安全信息

GHS Symbol

WGK Germany2

Hazard statements

H301 Toxic if swallowed 吞食有毒
H332 Harmful if inhaled 吸入有害
H315 Causes skin irritation 会刺激皮肤
H312 Harmful in contact with skin 皮肤接触有害
H319 Causes serious eye irritation 严重刺激眼睛
H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H370 Causes damage to organs 导致器官损伤

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes 6.1 F,T T T,F

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P310
P301+P310+P330
P302+P352+P332+P313+P362+P364
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P307+P311
P308+P311
P332+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
S25 Avoid contact with eyes 避免眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R11 Highly flammable 非常易燃
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R25 Toxic if swallowed 吞咽有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险

RTECSFM8750000

UN Number 2075 2811

Packing GroupIII

Storage condition 密封保存。充氩保存 0-6°C

Hazard Class6.1

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 960 mg/kg/1W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   9,177,1955

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   CDPRD4 Cancer Detection and Prevention.  (Alan R. Liss, Inc., 41 E. 11th
   St., New York, NY 10003) V.1-    1976-  Volume(issue)/page/year: 9,279,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 78,340,1943

{haz

TYPE OF TEST            : LDLo - Lowest publish

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cattle
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 530 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 38,65,1980

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 131,171,1928

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211,

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 2 mg/plate
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   30,9,1980

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 334,1,1995

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 200 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 41 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 323,81,1994

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Non-mammalian species Cells - not otherwise specified
DOSE/DURATION           : 100 mmol/L
REFERENCE :
   CHROAU Chromosoma.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1939-  Volume(issue)/page/year:
   45,215,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 13 gm/kg
SEX/DURATION            : female 3 week(s) pre-mating  - 3 week(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   NTOTDY Neurobehavioral Toxicology and Teratology.  (Fayetteville, NY) V.3-8,
   1981-86.  For publisher information, see NETEEC. Volume(issue)/page/year:
   6,137,1984

其他信息

急性毒性:口服-大鼠 LD50: 479 毫克/公斤; 口服-小鼠 LD50: 1100 毫克/
用途二:镀锌光亮剂，晶粒细化剂
方法一:将三氯乙醛、对苯二酚、碳酸钠和碳酸钙一起搅拌，加热至90℃。减压蒸馏，收集30℃（5.32-10.64kPa）馏分，得精制三氯乙醛。搅拌下缓缓加入0.182倍量的水，至反应液成粥状，静置结晶。过滤，低温干燥，得水合氯醛。
上游原料:乙醇 --> 氯 --> 碳酸钙 --> 1,4-苯二酚 --> 三氯乙醛
图谱信息:水合氯醛(302-17-0)红外图谱(IR1) 水合氯醛(302-17-0)核磁图( 1 HNMR) 水合氯醛(302-17-0)Raman光谱水合氯醛(302-17-0)红外图谱(IR2) 水合氯醛(302-17-0)质谱(MS)
用途五:催眠药。DDT的中间体。
TCI Shanghai:水合三氯乙醛 Chloral Hydrate,>;99.0%(T)(302-17-0)
用途三:用作农药、医药中间体，也用于制备氯仿、三氯乙醛等
用途四:用于医药用DDT的制备
储运特性:库房低温通风干燥; 防明火, 高温, 与食品原料, 氧化剂分开存放
用途一:用作镀镍中间体，也用作医药和农药中间体
MOL 文件:302-17-0.mol
类别:易燃物质
可燃性危险特性:遇热, 明火燃烧; 热分解排出有毒氯化物烟雾
下游产品:三氯乙醛 --> 三氯乙酸 --> 5-甲氧基-3-吲唑羧酸 --> 9-胺-1,2,3,4-四氢盐酸氯酯 --> 替尼达普 --> 5-甲氧基靛红 --> 6-溴靛红 --> 2-氨基-5,6-二氯苯甲酸 --> 依托度酸
用途六:银的检定的测定。有机合成制造三氯乙酸、DDT、催眠药。镀镍光亮剂。
Sigma Aldrich:302-17-0(sigmaaldrich)
Acros Organics:水合三氯乙醛 Chloral hydrate, 98.50%(302-17-0)
水合氯醛价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30037517 水合氯醛 250g 45元 2011/08/23 30037527 水合氯醛 250g 39元 2011/04/16 C0073 水合三氯乙醛 Chloral Hydrate 25G 172元
毒性分级:高毒
灭火剂:二氧化碳, 泡沫, 干粉
有芳香刺激性气味。味辛辣而微苦。能溶于水、醇、醚、氯仿、丙酮及甲乙酮，微溶于松节油、石油醚、四氯化碳、苯和甲苯。有刺激性。