2-Bromobenzohydrazide

HCID 101460

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Basic information

CAS: 29418-67-5
Standard SMILES: NNC(=O)c1ccccc1Br
InChIKey: PQNLAYLOCZKPIY-UHFFFAOYSA-N
Molecular formula: C7H7BrN2O
Average molar mass: 215.05 g/mol
Monoisotopic mass: 213.97417494

Names & identifiers

Preferred name: 2-Bromobenzohydrazide
IUPAC: 2-bromobenzohydrazide
English name: 2-Bromobenzhydrazide
Molecular formula: C7H7BrN2O
Molecular weight: 215.05

Names & synonyms

2-BromobenzohydrazideEINECS 249-614-2DTXSID90183634NSC 522536RefChem:467213DTXCID30106125249-614-22-Bromobenzhydrazide29418-67-52-Bromobenzoic hydrazideMFCD00051577Benzoic acid, 2-bromo-, hydrazide

Show more names

AKOS B020273ASISCHEM D511172-BromobenzohydrazidLABOTEST-BB LT004540682-Bromobenzohydrazide>2-BROMOBENZHYDRAZIDE, 98+%

2-bromobenzoic acid hydrazide(2-bromobenzoyl)hydrazine116921-73-42-Bromobenzoylhydrazine2-bromobenzenecarbohydrazide2-bromobenzoic acid, hydrazideNSC-522536Benzoic acid, bromo-, hydrazide (9CI)

Database identifiers

CAS: 29418-67-5
PubChem CID: 101460
DTXSID: DTXSID90183634
UNII: PJR84P6LUL
EC Number: 249-614-2
Nikkaji: J250.835D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Experimental & physicochemical properties

LogP0.26

Physicochemical properties

Melting point: 152 · 152-154°C
Density: 1.615 · 1.615±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 11.92 · 11.92±0.10(Predicted)
color: White to Light yellow
BRN: 1941021 · 1941021
CAS DataBase Reference: 29418 · 29418-67-5(CAS DataBase Reference)
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 2928 · 2928.00.2500
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.6%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.