3-Chloromethyl-benzamide

HCID 737145

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Basic information

CAS: 135654-16-9
Standard SMILES: NC(=O)c1cccc(CCl)c1
InChIKey: OOYATKQQGVPYQR-UHFFFAOYSA-N
Molecular formula: C8H8ClNO
Average molar mass: 169.61 g/mol
Monoisotopic mass: 169.02944156

Names & identifiers

Preferred name: 3-Chloromethyl-benzamide
IUPAC: 3-(chloromethyl)benzamide
English name: 3-(CHLOROMETHYL)BENZAMIDE
Molecular formula: C8H8ClNO
Molecular weight: 169.61

Names & synonyms

3-chloromethyl-benzamideRefChem:500499692-255-53-(chloromethyl)benzamide135654-16-93-ChloromethylbenzamideMFCD001759483-(chloromethyl)-benzamidebenzamide, 3-(chloromethyl)- (9ci)SCHEMBL185773Benzamide, 3-(chloromethyl)-SCHEMBL30955451

Show more names

DTXSID90353173OOYATKQQGVPYQR-UHFFFAOYSA-N3-carbamoylbenzyl chloride, 3-(aminocarbonyl)benzyl chlorideKFA65416SBB088342AKOS008105044BS-15299SY005748

Database identifiers

CAS: 135654-16-9
PubChem CID: 737145
DTXSID: DTXSID90353173
EC Number: 692-255-5

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 123 · 123-127
Boiling point: 311.6 · 311.6±25.0 °C(Predicted)
Density: 1.248 · 1.248±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 15.82 · 15.82±0.50(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310+P330-P405-P501
Hazard Codes: C
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.