N-(hydroxymethyl)benzamide

HCID 80493

Notes Reactions

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Basic information

CAS: 6282-02-6
Standard SMILES: O=C(NCO)c1ccccc1
InChIKey: UOUBPDZUBVJZOQ-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: N-(hydroxymethyl)benzamide
IUPAC: N-(hydroxymethyl)benzamide
English name: N-(Hydroxymethyl)benzamide
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

N-(Hydroxymethyl)benzamide6282-02-6N-HydroxymethylbenzamideBenzamide, N-(hydroxymethyl)-LF48FI2YOXNSC-5946DTXSID80211930RefChem:163548N-(hydroxymethyl)-benzamideDTXCID10134421228-495-0Benzamidomethanol

Show more names

N-(Hydroxymethyl)benN-(Hydroxymethyl)benzamidN-(Hydroxymethyl)benzamide,98%N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]nitrous amide

N-MethylolbenzamideMFCD00014415N-(hydroxymetyl)-benzamideNSC5946STK398353N-(Hydroxymethyl)benzamide, >=98.0%EN300-1268598Z56799838

Database identifiers

CAS: 6282-02-6
PubChem CID: 80493
DTXSID: DTXSID80211930
UNII: LF48FI2YOX
EC Number: 228-495-0
Nikkaji: J206.838I

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

LogP0.41

Physicochemical properties

Melting point: 95 · 95-100 °C
Boiling point: 273.17 °C · 273.17°C (rough estimate)
Density: 1.2023 · 1.2023 (rough estimate)
refractive index: 1.581 · 1.5810 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Water (Slightly)
form: Solid
pka: 13.25 · 13.25±0.46(Predicted)
color: White to Off-White
BRN: 2045129 · 2045129
CAS DataBase Reference: 6282 · 6282-02-6(CAS DataBase Reference)
FDA UNII: 48 FI2YOX · LF48FI2YOX
NIST Chemistry Reference: N-Hydroxymethylbenzamide(6282-02-6)
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
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36-36/37/38
Safety Statements: 26 · 26-37/39-37
WGK Germany: 1 · 1
HS Code: 29242990 · 29242990

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.