Basic information
- CAS
67856-68-2- Standard SMILES
O=NN(CCCl)CCCl- InChIKey
VWQXNTZBSSUTAB-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2N2O
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 170.0013683
Names & identifiers
- Preferred name
- N-Nitrosobis(2-chloroethyl)amine
- IUPAC
- N,N-bis(2-chloroethyl)nitrous amide
- English name
- Nitrosobis-(2-chloroethyl)-amine
- Molecular formula
- C4H8Cl2N2O
- Molecular weight
- 171.03
Names & synonyms
BIS(2-CHLOROETHYL)(NITROSO)AMINEN-Nitrosobis(2-chloroethyl)amineRefChem:830839Bis(2chloroethyl)nitrosoamineNitrosobis(2chloroethyl)amineNNitroso2,2'dichlorodiethylamineDiethylamine, 2,2'dichloroNnitrosoEthanamine, 2chloroN(2chloroethyl)Nnitroso858-123-867856-68-2Nitrosobis(2-chloroethyl)amineN,N-bis(2-chloroethyl)nitrous amide
Show more names
Nitrosamine impurityNaproxen Impurity 46Cyclophosphamide Impurity 35N-Nitrosodi(2-chloroethyl)amineN-Nitroso Bis(2-Chloroethyl)Nitrosoamine
N-Nitroso Bis(2-chloroethyl)amineDIETHYLAMINE, 2,2'-DICHLORO-N-NITROSO-Ethanamine, 2-chloro-N-(2-chloroethyl)-N-nitroso-nitrosobis-(2-chloroethyl)-amineN-Nitroso Bis(2- chloroethyl)amineBis(2-chloroethyl)nitrosoamineBRN 1762838N-Nitroso-2,2'-dichlorodiethylamine
Database identifiers
- CAS
67856-68-2- PubChem CID
- 45205
- DTXSID
DTXSID10218098- ChEMBL
CHEMBL164796- UNII
- BF4R876JMB
- EC Number
- 858-123-8
- Nikkaji
- J83.746F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Density
- 1.3285 · 1.3285 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Light Yellow to Yellow
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 351 · H351-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501
- Toxicity
- -10 mg/plate · mmo-sat-10 mg/plate MUREAV 66,1,79
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummarySee NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Toxicity
- mmo-sat-10 mg/plate MUREAV 66,1,79
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H351-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesN-Nitroso bis(2-chloroethyl)amine is a nitroamine compound that has carcinogenic effects.
Suppliers28 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
广州维奥康药业科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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