CAS 622-78-6 MFCD00004819-Benzyl Isothiocyanate 异硫氰酸苄酯 TAO{mole}

Benzyl Isothiocyanate 异硫氰酸苄酯

CAS 622-78-6 MFCD00004819

化学结构图

SMILES:

化学属性

Mol. Formula	C6H5CH2NCS
Mol. Weight	149
Boiling Point	242-260
TSCA	T
Density	1.125
Refractive index	1.6020 to 1.6050
Flash Point	>110°(230°F)
Melting Point	41°C

别名和识别编码

Chemical Name	Benzyl Isothiocyanate
CAS Number	622-78-6
Alfabeta Name	BENZYLISOTHIOCYANATE
MDL Number	MFCD00004819
Synonym	Benzyl isothiocyanate {LY} Benzyl isothiocyanate {} {LY} Benzyl isothiocyanate {} {} {LY} Benzyl isothiocyanate {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isothiocyanate {} {} {} {} {} {} {} {} {} {} {}
EC Number	210-753-9
Beilstein Registry Number	386135
PubChem Substance ID	87571599
Reaxys-RN	386135
Chemical Name Translation	异硫氰酸苄酯
Wiswesser Line Notation	SCN1R
LabNetwork Molecule ID	LN00010127
Canonical SMILES	S=C=NCC1=CC=CC=C1

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产品应用

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安全信息

Warnings MOISTURE SENSITIVE, LACHRYMATOR, TOXIC

Signal word Danger

GHS Symbol

WGK Germany3

Safety Statements

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；
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；
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

R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R42/43

Precautionary statements

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。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P312+P330
P302+P350
P302+P352+P333+P313+P362+P364
P304+P340+P312
P305+P351+P338
P337+P313
P342+P311
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H319 Causes serious eye irritation 严重刺激眼睛
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
H302+H312+H332
H302+H332
H332 Harmful if inhaled 吸入有害
H312 Harmful in contact with skin 皮肤接触有害
H302 Harmful if swallowed 吞食有害

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

RTECSNX8250000

Packing GroupIII

UN Number 2810 3082 3334 UN2922

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Moisture Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C,

Hazard Codes 9

Hazard Class9

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 21,121,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 5,505,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 16,870,1966

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 300 ug/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   33,31,1995

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 300,111,1993

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1 mg/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   33,31,1995

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 150 ug/plate
REFERENCE :
   ABCHA6 Agricultural and Biological Chemistry.  (Maruzen Co. Ltd., POB 5050,
   Tokyo International, Tokyo 100-31, Japan)  V.25-    1961-
   Volume(issue)/page/year: 44,3017,1980

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV M

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 300 ug/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   33,31,1995

其他信息

急性毒性:腹腔- 大鼠 LDL0: 100 毫克/ 公斤; 腹腔- 小鼠 LDL0: 100 毫克/ 公斤
灭火剂:雾状水、二氧化碳、干粉; 禁用酸碱灭火剂
可燃性危险特性:明火、高热、氧化剂易燃; 高热放出有毒氮氧化物和硫氧化物气体
F:8-19-21
毒性分级:高毒
类别:有毒物品
TSCA:T
下游产品:鸟嘌呤
Alfa Aesar:苄基异硫氰酸酯,97% Benzyl isothiocyanate, 98%(622-78-6)
FEMA:4428
图谱信息:十二(烷)酸苄酯苯基酯(622-78-6)质谱(MS) 十二(烷)酸苄酯苯基酯(622-78-6)红外图谱(IR1)
MOL 文件:622-78-6.mol
TCI Shanghai:苄基异硫氰酸酯 Benzyl Isothiocyanate,>;98.0%(GC)(622-78-6)
Sigma Aldrich:622-78-6(sigmaaldrich)
食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称允许使用该种添加剂的食品中文名称添加剂功能最大允许使用量（g/kg）最大允许残留量（g/kg）异硫氰酸苄酯食品食品用香料用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
十二(烷)酸苄酯苯基酯价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 L0264901 苄基异氰酸97％ 5g 252元 2011/04/16 I0224 苄基异硫氰酸酯 Benzyl Isothiocyanate 25G 1120元 2011/04/16 I0224 苄基异硫氰酸酯 Benzyl Isothiocyanate 5G 393元
储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
敏感性:Moisture Sensitive
Acros Organics:异硫氰酸苯甲酯 Benzyl isothiocyanate, 98%(622-78-6)
Hazard Note:Corrosive/Harmful/Store under nitrogen