2,4,6-Tribromo-3-hydroxybenzoic acid

HCID 151915CAS 14348-40-4

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Basic information

Standard SMILES: O=C(O)c1c(Br)cc(Br)c(O)c1Br
InChIKey: YDBHVMTTYXWHLI-UHFFFAOYSA-N
Molecular formula: C7H3Br3O3
Average molar mass: 374.81 g/mol
Monoisotopic mass: 371.76323026

Names & identifiers

Preferred name: 2,4,6-Tribromo-3-hydroxybenzoic acid
IUPAC: 2,4,6-Tribromo-3-hydroxybenzoic acid
English name: 3-Hydroxy-2,4,6-tribromobenzoic acid
Molecular formula: C7H3Br3O3
Molecular weight: 374.81

Names & synonyms

TBHBARARECHEM AL BE 14882,4,6-Tribromo-3-hydLABOTEST-BB LT00452434TBHBA)2,4,6-TribroMo-3-hydrox2,4,6-tribromo-3-hydroxybenzoate3-Hydroxy-2,4,6-tribromobenzoicaci2,4,6-tribromo-3-hydroxy-benzoicaci3-Hydroxy-2,4,6-tribromobenzoic aicd3-HYDROXY-2,4,6-TRIBROMOBENZOIC ACID

Database identifiers

CAS: 14348-40-4
PubChem CID: 151915
DTXSID: DTXSID20162437
EC Number: 619-514-7
Nikkaji: J2.637.666A

Properties

Physicochemical properties

Melting point: 145 · 145-148 °C (lit.)
Boiling point: 121 °C · 121°C (rough estimate)
Density: 2.3705 · 2.3705 (rough estimate)
refractive index: 1.5438 · 1.5438 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.15 · 1.15±0.10(Predicted)
form: Crystals
color: White
Water Solubility: insoluble
BRN: 2844497 · 2844497
InChI: InChI=1S/C7H3Br3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)
InChIKey: YDBHVMTTYXWHLI-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=C(Br)C=C(Br)C(O)=C1Br
CAS DataBase Reference: 14348 · 14348-40-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38-20/22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29182900 · 29182900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29182900
risk_code: 20/21/22-36/37/38-20/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

DescriptionTBHBA (2,4,6-Tribromo-3-hydroxybenzoic acid; 3-Hydroxy-2,4,6-tribromobenzoic acid) is produced by reacting with 4-aminoantipyrine (4-AA) or 3-methylbenzothiazole in the presence of hydrogen peroxide and peroxidase. Oxidative coupling reaction of methylone hydrazone (MBTH) to form highly stable dyes.

UsesTBHBA (2,4,6-Tribromo-3-hydroxybenzoic acid) is produced by reacting with 4-aminoantipyrine (4-AA) or 3-methylbenzothiazole in the presence of hydrogen peroxide and peroxidase. Oxidative coupling reaction of methylone hydrazone (MBTH) to form highly stable dyes.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

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