CAS 163596-75-6 4-Bromo-3-nitrobenzaldehyde (HCID 808792)

Names & identifiers

Preferred name: 4-Bromo-3-nitrobenzaldehyde
IUPAC: 4-bromo-3-nitrobenzaldehyde
English name: 4-Bromo-3-nitro-benzaldehyde
Molecular formula: C7H4BrNO3
Molecular weight: 230.02

Names & synonyms

4-Bromo-3-nitrobenzaldehyde163596-75-6DTXSID50355613RefChem:98133DTXCID80306673626-849-24-Bromo-3-nitro-benzaldehydeBenzaldehyde, 4-bromo-3-nitro-MFCD00204031Benzaldehyde, 4-?bromo-?3-?nitro-4-Bromo-3-nitrobenzaldehyde, 97%BBL023087

Show more names

AKOS B028535CAS:163596-75-6TIMTEC-BB SBB009829ART-CHEM-BB B028535Benzaldehyde,4-broMo-3-nitro-4-Bromo-3-nitrobenzaldehyde 97%3 - Nitro -4- BroMobenzaldehydeJR-14016, 4-Bromo-3-nitrobenzaldehyde, 97%

AKOS000113388SY046577EN300-09880AG-690/15433594Z569951404-Brom-3-NitrobenzaldehydSCHEMBL100105ALBB-026365

Database identifiers

CAS: 163596-75-6
PubChem CID: 808792
DTXSID: DTXSID50355613
EC Number: 626-849-2
Nikkaji: J2.525.460K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 104 · 104-108 °C (lit.)
Boiling point: 289.3 · 289.3±30.0 °C(Predicted)
Density: 1.781 · 1.781±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light red to Green
λmax: 295 nm · 295nm(CH3CN)(lit.)
InChI: InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKey: SAFSVELFSYQXOV-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Br)C([N+]([O-])=O)=C1
CAS DataBase Reference: 163596 · 163596-75-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H335-H400
Precautionary statements: 273 · P273-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 · 36/37/38-50-43-38-22
Safety Statements: 26 · 26-36-61-45-36/37
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · 3
HS Code: 2913000090 · 2913000090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Eye · Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (95.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (95.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (100%)；Skin Sens. 1 (95.2%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)；Aquatic Acute 1 (95.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 2913000090
risk_code: 36/37/38-50-43-38-22
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi
safety_code: 26-36-61-45-36/37
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H317-H319-H335-H400
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P273-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Bromo-3-nitrobenzaldehyde is a benzaldehyde derivative, mainly used as an intermediate component in organic synthesis. It can be used to prepare 4-Bromo-3-chlorobenzoic acid and other benzoic acid compounds.