Formamide, N-(4-bromophenyl)-

HCID 17474

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Basic information

CAS: 2617-78-9
Standard SMILES: O=CNc1ccc(Br)cc1
InChIKey: PYHXNHQAVPSOKT-UHFFFAOYSA-N
Molecular formula: C7H6BrNO
Average molar mass: 200.03 g/mol
Monoisotopic mass: 198.96327591

Names & identifiers

Preferred name: Formamide, N-(4-bromophenyl)-
IUPAC: N-(4-bromophenyl)formamide
English name: N-(4-Bromophenyl)formamide 97
Molecular formula: C7H6BrNO
Molecular weight: 200.03

Names & synonyms

N-(4-Bromophenyl)formamideFormamide, N-(4-bromophenyl)-p-Bromoformanilide4-BromoformanilideFormic acid p-bromophenylamideFORMANILIDE, 4'-BROMO-p-Bromfenylamid kyseliny mravenciNSC 1180BRN 2802372p-Bromfenylamid kyseliny mravenci [Czech]DTXSID40180794RefChem:600253

Show more names

4’-bromo-formanilidn-(4-bromophenyl)-formamidformicacidp-bromophenylamideN-(4-Bromophenyl)formamide 97p-bromfenylamidkyselinymravenci

DTXCID80103285Formamide, N-(4-bromophenyl)-(9CI)623-863-02617-78-9E94N49UNV3NSC-1180p-Brom-formanilidpara-Bromoformanilide

Database identifiers

CAS: 2617-78-9
PubChem CID: 17474
DTXSID: DTXSID40180794
UNII: E94N49UNV3
EC Number: 623-863-0
Nikkaji: J796.590G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 117 · 117-121 °C(lit.)
Boiling point: 334.3 · 334.3±25.0 °C(Predicted)
Density: 1.634 · 1.634±0.06 g/cm3(Predicted)
pka: 14.13 · 14.13±0.70(Predicted)
InChI: 1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)
InChIKey: PYHXNHQAVPSOKT-UHFFFAOYSA-N
SMILES: [H]C(=O)Nc1ccc(Br)cc1
FDA UNII: 94 N49UNV3 · E94N49UNV3
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 261 · P261-P264-P270-P280-P301+P312-P302+P352
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 37 · 37/39
WGK Germany: 3 · 3
RTECS: 4663000 · LQ4663000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.