CAS 39115-96-3 m-Bromobenzohydrazide (HCID 520941)

Names & identifiers

Preferred name: m-Bromobenzohydrazide
IUPAC: 3-bromobenzohydrazide
English name: 3-Bromobenzhydrazide
Molecular formula: C7H7BrN2O
Molecular weight: 215.05

Names & synonyms

3-Bromobenzhydrazide39115-96-3m-BromobenzohydrazideBenzoic acid, 3-bromo-, hydrazide(m-Bromobenzoyl)hydrazine3-Bromobenzoic acid hydrazide(3-Bromobenzoyl)hydrazineEINECS 254-298-44UW6VH27M7Benzoic acid, m-bromo-, hydrazideM-BROMOBENZOYL HYDRAZIDE3-BROMOBENZOYL HYDRAZIDE

Show more names

AKOS B020281Nifuroxazide ImpurityNifuroxazide Impurity 1Nifuroxazide Impurity 5m-Bromobenzoic hydrazide3-Bromobenzhydrazide 98%

DTXSID90192367RefChem:800350DTXCID00114858254-298-43-Bromobenzohydrazide3-Bromobenzoic hydrazideMFCD000076003-bromobenzoylhydrazine

Database identifiers

CAS: 39115-96-3
PubChem CID: 520941
DTXSID: DTXSID90192367
UNII: 4UW6VH27M7
EC Number: 254-298-4
Nikkaji: J261.311E

Properties

Computed structural properties

XLogP: 1.3
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

Physicochemical properties

Melting point: 157 · 157-159 °C (lit.)
Density: 1.615 · 1.615±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 11.86 · 11.86±0.10(Predicted)
color: White to Almost white
Water Solubility: Slightly soluble in water (3.7 g/L) (25°C)
BRN: 1945814 · 1945814
InChI: 1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccc(Br)c1
CAS DataBase Reference: 39115 · 39115-96-3(CAS DataBase Reference)
FDA UNII: 4 UW6VH27M7 · 4UW6VH27M7
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29280000 · 29280000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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 Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29280000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Bromobenzhydrazide is used to produce 5-(3-bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction will need reagent potassium hydroxide and solvent ethanol.