4-(Chloromethyl)benzamide

HCID 458363

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 84545-14-2
Standard SMILES: NC(=O)c1ccc(CCl)cc1
InChIKey: OVILZFVTUVWJTO-UHFFFAOYSA-N
Molecular formula: C8H8ClNO
Average molar mass: 169.61 g/mol
Monoisotopic mass: 169.0294416

Names & identifiers

Preferred name: 4-(Chloromethyl)benzamide
IUPAC: 4-(chloromethyl)benzamide
English name: Benzamide, 4-(chloromethyl)- (9CI)
Molecular formula: C8H8ClNO
Molecular weight: 169.61

Names & synonyms

4-(Chloromethyl)benzamide84545-14-2DTXSID30332508RefChem:515660DTXCID70283601800-992-2MFCD00175950Benzamide, 4-(chloromethyl)-4-(chloromethyl)-benzamidealpha-Chloro-p-toluamide4-(Chloromethyl)benzamide #SCHEMBL186305

Show more names

4-(chloromethyl)phenyl carboxamideBenzamide, 4-(chloromethyl)- (9CI)4-(chloromethyl)benzamide(SALTDATA: FREE)

STL282799AKOS001208898AC-25080BS-13402Letrozole Impurity N2Letrozole Impurity 41SCHEMBL3417750SCHEMBL10908999

Database identifiers

CAS: 84545-14-2
PubChem CID: 458363
DTXSID: DTXSID30332508
EC Number: 800-992-2
Nikkaji: J3.356.293D

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: 141

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H311-H331-H341
Precautionary statements: 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 2 reports by companies from 2 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 CategoriesSkin Corr. 1B (50%)

Safety data

hs_code: 2924297099
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_class: IRRITANT
Hazard statements: H301-H311-H331-H341
Precautionary statements: P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501