N-(2-chloroethyl)benzamide

HCID 101439

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Basic information

CAS: 26385-07-9
Standard SMILES: O=C(NCCCl)c1ccccc1
InChIKey: FYQJUYCGPLFWQR-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.04509162

Names & identifiers

Preferred name: N-(2-chloroethyl)benzamide
IUPAC: N-(2-chloroethyl)benzamide
English name: N-(2-CHLOROETHYL)BENZAMIDE
Molecular formula: C9H10ClNO
Molecular weight: 183.63

Names & synonyms

N-(2-Chloroethyl)benzamide26385-07-9Benzamide, N-(2-chloroethyl)-CJW6HN933GEINECS 247-641-4NSC-520281FYQJUYCGPLFWQR-UHFFFAOYSA-DTXSID70180984NSC 520281RefChem:161714DTXCID10103475247-641-4

Show more names

TIMTEC-BB SBB008196IFLAB-BB F0133-0020N-(2-Chloroethyl)benzamide-97%N-(2-Chloroethyl)benzamide,99%N-(2-Chloroethyl)benzamide, GC 99%N-(2-CHLOROETHYL)BENZENECARBOXAMIDE

FYQJUYCGPLFWQR-UHFFFAOYSA-NInChI=1/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)MFCD00000964NSC520281UNII-CJW6HN933GSCHEMBL14919332-(benzoylamino)-ethyl chlorideSBB008196

Database identifiers

CAS: 26385-07-9
PubChem CID: 101439
DTXSID: DTXSID70180984
UNII: CJW6HN933G
EC Number: 247-641-4
Nikkaji: J236.142F

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 103 · 103-106 °C(lit.)
Boiling point: 366.4 · 366.4±25.0 °C(Predicted)
Density: 1.1611 · 1.1611 (rough estimate)
refractive index: 1.533 · 1.5330 (estimate)
storage temp.: Room temperature.
pka: 13.9 · 13.90±0.46(Predicted)
form: solid
color: White
BRN: 1943939 · 1943939
CAS DataBase Reference: 26385 · 26385-07-9(CAS DataBase Reference)
FDA UNII: 6 HN933G · CJW6HN933G
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.