3,4-Dibromobenzoic acid

HCID 624397

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Basic information

CAS: 619-03-4
Standard SMILES: O=C(O)c1ccc(Br)c(Br)c1
InChIKey: DHMPDNLGFIBQCK-UHFFFAOYSA-N
Molecular formula: C7H4Br2O2
Average molar mass: 279.91 g/mol
Monoisotopic mass: 277.8578

Names & identifiers

Preferred name: 3,4-Dibromobenzoic acid
IUPAC: 3,4-dibromobenzoic acid
English name: 3,4-DIBROMOBENZOIC ACID
Molecular formula: C7H4Br2O2
Molecular weight: 279.91

Names & synonyms

3,4-Dibromobenzoic acid619-03-4Benzoic acid, 3,4-dibromo-DTXSID80347662RefChem:91004DTXCID10298734874-930-8DHMPDNLGFIBQCK-UHFFFAOYSA-NMFCD000944033,4-Dibromobenzoicacid3,4-Dibrom-benzoesaureSCHEMBL588825

Show more names

RARECHEM AL BE 15043,4-DIBROMOBENZOIC ACID ISO 9001：2015 REACH

AKOS000298634CS-W021794DS-15680SY034395AMY9071FT-0658227A833477SCHEMBL29810232

Database identifiers

CAS: 619-03-4
PubChem CID: 624397
DTXSID: DTXSID80347662
EC Number: 874-930-8
Nikkaji: J95.576K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 235 · 235-236 °C
Boiling point: 356 · 356.0±32.0 °C(Predicted)
Density: 2.083 · 2.083±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.58 · 3.58±0.10(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses3,4-Dibromobenzoic acid is a colorless crystal at room temperature with a boiling point of 276°C. It is widely used as a pharmaceutical intermediate and, in polymer molding and processing, as a specialty plasticizer added to polymer resins to provide flexibility and toughness.