CAS 936-08-3 2-Bromo-4-chlorobenzoic acid (HCID 33126)

Names & identifiers

Preferred name: 2-Bromo-4-chlorobenzoic acid
IUPAC: 2-bromo-4-chlorobenzoic acid
English name: 2-Bromo-4-chlorobenzoic acid
Molecular formula: C7H4BrClO2
Molecular weight: 235.46

Names & synonyms

2-Bromo-4-chlorobenzoic acid936-08-3DTXSID00275019RefChem:466499DTXCID20226467627-328-22-bromo-4-chloro-benzoic AcidMFCD00672930SCHEMBL3951892-Bromo-4-chlorobenzoic acid, 97%AKOS005215803CS-W002662

Show more names

2-BroMo-4-chlorobenzDapagliflozin Impurity 512-Bromo-4-chlorobenzoicaciDapagliflozin Impurity 1592-BroM-4-chlorobenzoic acid2-Bromo-4-chlorobenzoic Acid >2-Bromo-4-chlorobenzoic acid (ACI)

PB48319SY016936Z12691654492-bromo-4-chlorobenzoic acid/4-bromo-2-chlorobenzoic acid2-Bromo-4-chlorobenzoicacidBenzoic acid, 2-bromo-4-chloro-4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid4-chloro-2-bromobenzoic acid

Database identifiers

CAS: 936-08-3
PubChem CID: 33126
DTXSID: DTXSID00275019
EC Number: 627-328-2
Nikkaji: J2.316.321G

Properties

Computed structural properties

XLogP: 2.9
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: 163

Physicochemical properties

Melting point: 157 · 157-161 °C
Boiling point: 326.5 · 326.5±27.0 °C(Predicted)
Density: 1.809 · 1.809±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.62 · 2.62±0.10(Predicted)
form: Solid
color: White to Light yellow
InChI: InChI=1S/C7H4BrClO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey: USMQLFCVCDEXAK-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Cl)C=C1Br
CAS DataBase Reference: 936 · 936-08-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335-H400
Precautionary statements: 273 · P273-P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: Xi,N,C,Xn
Risk Statements: 36 · 36/37/38-50-34-22
Safety Statements: 26 · 26-36/37/39-61-45
RIDADR: 2928 · UN 2928
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2916399090 · 2916399090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (93.3%): Toxic if swallowed [Danger 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 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (91.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 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 CategoriesAcute Tox. 3 (93.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)；Aquatic Acute 1 (91.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2928
hs_code: 2916399090
risk_code: 36/37/38-50-34-22
Signal word: Danger
Symbol(GHS): GHS06,GHS09
hazard_code: Xi,N,C,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-61-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335-H400
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Bromo-4-chlorobenzoic acid is used in the production of pharmaceuticals, dye carriers, plasticizers, fragrances, and food preservatives. It is also used to improve the performance of alkyd resin coatings. Furthermore, it is used as an antifungal and disinfectant, serving as a chemical reagent and preservative. 2-Bromo-4-chlorobenzoic acid is commonly used as a fixative or preservative. It is also used as a flavoring agent in fruit juice beverages. Additionally, it can be used in flavorings for chocolate, lemon, orange, berry, nut, and candied fruit.