Ethyl(phenyl)carbamoyl chloride

HCID 96376
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Basic information

CAS
33758-39-3
Standard SMILES
CCN(C(=O)Cl)c1ccccc1
InChIKey
CDGCUPPKLDOYGV-UHFFFAOYSA-N
Molecular formula
C9H10ClNO
Average molar mass
183.63 g/mol
Monoisotopic mass
183.04509162

Names & identifiers

Preferred name
Ethyl(phenyl)carbamoyl chloride
IUPAC
N-ethyl-N-phenylcarbamoyl chloride
English name
ethyl(phenyl)carbamoyl chloride
Molecular formula
C9H10ClNO
Molecular weight
183.63

Names & synonyms

33758-39-3N-ethyl-N-phenylcarbamoyl chlorideEthyl(phenyl)carbamoyl chlorideethyl(phenyl)carbamic chlorideEthylphenylcarbamoyl chloride33BGY95BXHCarbamic chloride, ethylphenyl-NSC-71238N-ETHYL-N-PHENYLCARBAMIC CHLORIDEEINECS 251-670-8UNII-33BGY95BXHethyl(phenyl)carbamicchloride
Show more names
Ethylphenylcarbamic acid chlorideCarbamic chloride, N-ethyl-N-phenyl-
NCIOpen2_000570SCHEMBL1068790SCHEMBL5481370DTXSID00187426IBA75839N-ethyl-N-phenyl-carbamoyl chlorideNSC71238NSC 71238

Database identifiers

CAS
33758-39-3
PubChem CID
96376
DTXSID
DTXSID00187426
UNII
33BGY95BXH
EC Number
251-670-8
Nikkaji
J308.536H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
49 · 49-50 °C
Boiling point
294.2 · 294.2±9.0 °C(Predicted)
Density
1.204 · 1.204±0.06 g/cm3(Predicted)
pka
0.06 · 0.06±0.50(Predicted)
FDA UNII
33 BGY95BXH · 33BGY95BXH
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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