CAS 6629-04-5 MFCD00001937-N-Cyanoacetylurethane N-氰基乙酰尿烷 TAO{mole}

N-Cyanoacetylurethane N-氰基乙酰尿烷

CAS 6629-04-5 MFCD00001937

化学结构图

SMILES: CCOC(=O)NC(=O)CC#N

化学属性

Mol. Formula	C6H8N2O3
Mol. Weight	156
Melting Point	167-169 °C (lit.)

别名和识别编码

Chemical Name	N-Cyanoacetylurethane
CAS Number	6629-04-5
Alfabeta Name	ETHYLCYANOACETYLCARBAMATE N2()--
MDL Number	MFCD00001937
Synonym	N-Cyanoacetylurethane 氰基乙酰氨基甲酸乙酯 N-Cyanoacetyl ethyl carbamate Ethyl cyanoacetylcarbamate Cyanoacetylurethan N-氰基乙酰尿烷
PubChem Substance ID	23112
EC Number	229-615-4
Chemical Name Translation	N-氰基乙酰尿烷
Wiswesser Line Notation	NC1VMVO2
Beilstein Registry Number	1210605
LabNetwork Molecule ID	LN00147118
InChI	InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)

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安全信息

Warnings IRRITANT

WGK Germany3

GHS Symbol

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。
P264+P265
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+P312
P301+P317
P302+P352
P304+P312
P304+P340
P305+P351+P338
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P317
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P332+P317
P337+P313
P337+P317
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
P362+P364
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

Hazard statements

H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H332 Harmful if inhaled 吸入有害
H335 May cause respiratory irritation 可能导致呼吸道刺激

RTECSEZ3480000

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xn

Safety Statements

S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2400 mg/kg/4W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   29,2184,1969

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5

H-bond Donors

H-bond Acceptors

Rotatable Bonds

LogP

-4.080000000000000e-002