CAS 41891-13-8 N-ethylcarbamoyl chloride (HCID 12321963)

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Basic information

CAS: 41891-13-8
Standard SMILES: CCNC(=O)Cl
InChIKey: PJLHXSBKGRJXHA-UHFFFAOYSA-N
Molecular formula: C3H6ClNO
Average molar mass: 107.54 g/mol
Monoisotopic mass: 107.01379149

Names & identifiers

Preferred name: N-ethylcarbamoyl chloride
IUPAC: N-ethylcarbamoyl chloride
English name: Carbamic chloride, ethyl-
Molecular formula: C3H6ClNO
Molecular weight: 107.54

Names & synonyms

N-ethylcarbamoyl chlorideRefChem:829989816-004-841891-13-8Carbamic chloride, ethyl-Carbamicchloride,ethyl-ethylcarbamyl chlorideN-Ethylcarbamoyl Chloride (>90%)Ethylcarbamic Chloride; Ethylcarbamoyl Chloride; N-Ethylcarbamoyl ChlorideEthylcarbamic Chlorideethylcarbamoyl chlorideSCHEMBL2041739

Show more names

ETHYL CARBAMOYL CHLORIDEN-ethylCarbamic chlorideCarbamic chloride, N-ethyl-Ethylcarbamic acid chloride

SCHEMBL29233249DTXSID60488724PJLHXSBKGRJXHA-UHFFFAOYSA-NRBA89113MFCD19216823AKOS006349302DB-050307EN300-123440

Database identifiers

CAS: 41891-13-8
PubChem CID: 12321963
DTXSID: DTXSID60488724
EC Number: 816-004-8
Nikkaji: J94.722I

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 54.8

Physicochemical properties

solubility: Benzene (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
Stability: Moisture Sensitive
Symbol(GHS): 8 · GHS08,GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H351-H302
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS07,GHS05
Hazard statements: H314-H351-H302
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501