Acetamide, N-(4-(chloromethyl)phenyl)-

HCID 148705

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Basic information

CAS: 54777-65-0
Standard SMILES: CC(=O)Nc1ccc(CCl)cc1
InChIKey: CRHLVANTDHUAOY-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.0450916

Names & identifiers

Preferred name: Acetamide, N-(4-(chloromethyl)phenyl)-
IUPAC: N-[4-(chloromethyl)phenyl]acetamide
English name: 4-Acetamidobenzyl chloride
Molecular formula: C9H10ClNO
Molecular weight: 183.63

Names & synonyms

4-Acetamidobenzyl chloride54777-65-0N-(4-(Chloromethyl)phenyl)acetamideN-[4-(chloromethyl)phenyl]acetamideAcetamide, N-(4-(chloromethyl)phenyl)-Acetamide, N-[4-(chloromethyl)phenyl]-DTXSID90203245RefChem:551721DTXCID90125736611-197-34'-(Chloromethyl)acetanilideMFCD00060282

Show more names

2-[4-(Chloromethyl)phenyl]acetamide4-Acetamidobenzyl chloride, N-[4-(Chloromethyl)phenyl]acetamide

4-Acetamidobenzylchloride4-acetylaminobenzyl chlorideN-[p-(Chloromethyl)phenyl]acetamide4-acetamino-benzylchlorideSCHEMBL1278968CRHLVANTDHUAOY-UHFFFAOYSA-NN-(4-chloromethylphenyl)-acetamiden-(4-chloromethyl-phenyl)-acetamide

Database identifiers

CAS: 54777-65-0
PubChem CID: 148705
DTXSID: DTXSID90203245
EC Number: 611-197-3

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 151 · 151-154°C
storage temp.: 2 · 2-8°C
CAS DataBase Reference: 54777 · 54777-65-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 335 · H335-H314
Precautionary statements: 260 · P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Hazard Codes: C,Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Corrosive
HazardClass: IRRITANT, LACHRYMATOR
HS Code: 2924190090 · 2924190090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (100%)

Safety data

hs_code: 2924190090
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39
hazard_class: IRRITANT, LACHRYMATOR
Hazard statements: H335-H314
Precautionary statements: P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501