CAS 6343-54-0 N-Benzylformamide (HCID 80654)

Names & identifiers

Preferred name: N-Benzylformamide
IUPAC: N-benzylformamide
English name: N-BENZYLFORMAMIDE
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

N-Benzylformamide6343-54-0benzylformamideNSC-16247L363D92ELKCHEBI:41117DTXSID40212842RefChem:162958DTXCID70135333228-739-6Benzyl formamideN-Formylbenzylamine

Show more names

N-BenzylformamidVITAS-BB TBB000670Formamide,N-benzyl-N-Benzylformamide>N-Benzylformamide,99%

Formamide, N-(phenylmethyl)-N-(phenylmethyl)formamideN-benzyl-formamideMFCD00003281UNII-L363D92ELKCHEMBL46293NSC16247DB02481

Database identifiers

CAS: 6343-54-0
PubChem CID: 80654
DTXSID: DTXSID40212842
ChEMBL: CHEMBL46293
ChEBI: CHEBI:41117
UNII: L363D92ELK
EC Number: 228-739-6
Nikkaji: J206.948B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 97

Experimental & physicochemical properties

Kovats Retention Index1402

Physicochemical properties

Melting point: 60 · 60-61 °C(lit.)
Boiling point: 248.86 °C · 248.86°C (rough estimate)
Density: 1.1031 · 1.1031 (rough estimate)
refractive index: 1.5635 · 1.5635 (rough estimate)
storage temp.: -20 °C, · -20°C, Inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 16.35 · 16.35±0.23(Predicted)
color: White to Pale Yellow
FDA UNII: 363 D92ELK · L363D92ELK
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41-43-52/53
Safety Statements: 26 · 26-36/37/39-61
WGK Germany: 2 · 2
HS Code: 29242990 · 29242990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 (97.5%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (97.5%)；Resp. Sens. 1 (97.5%)；STOT SE 3 (97.5%)

Safety data

wgk: 2
hs_code: 29242990
risk_code: 22-37/38-41-43-52/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-61
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesN-Benzylformamide is a useful synthetic intermediate. It is used to prepare thiadiazolidinone derivatives as possible glycogen synthase kinase 3 inhibitors. It can also be used to synthesize selective antitubercular agents.