2,4,6-Tribromoresorcinol

HCID 17094

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Basic information

CAS: 2437-49-2
Standard SMILES: Oc1c(Br)cc(Br)c(O)c1Br
InChIKey: YADZSMVDNYXOOB-UHFFFAOYSA-N
Molecular formula: C6H3Br3O2
Average molar mass: 346.8 g/mol
Monoisotopic mass: 343.76832

Names & identifiers

Preferred name: 2,4,6-Tribromoresorcinol
IUPAC: 2,4,6-tribromobenzene-1,3-diol
English name: 2,4,6-Tribromoresorcinol
Molecular formula: C6H3Br3O2
Molecular weight: 346.8

Names & synonyms

2,4,6-Tribromoresorcinol2437-49-21,3-Benzenediol, 2,4,6-tribromo-RESORCINOL, 2,4,6-TRIBROMO-EINECS 219-442-2BRN 1955462NSC 10857NSC-1085786OZJ65140DTXSID901791134-06-00-05688 (Beilstein Handbook Reference)RefChem:442870

Show more names

TRIBROMORESORCINOL2,4,6-tribromo-resorcino2,4,6-Tribromoresourcinol2,4,6-Tribromo-1,3-benzenediol

DTXCID201016041,3-Benzenediol, 2,4,6-tribromo-(9CI)219-442-22,4,6-tribromobenzene-1,3-diolMFCD000097172.4.6-Tribromoresorcinol1,3,5-Tribromo-2,4-dihydroxybenzeneSCHEMBL69904

Database identifiers

CAS: 2437-49-2
PubChem CID: 17094
DTXSID: DTXSID90179113
UNII: 86OZJ65140
EC Number: 219-442-2
Nikkaji: J54.292J

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

LogP4.37

Physicochemical properties

Melting point: 114 · 114-116 °C (lit.)
Boiling point: 254.9 · 254.9±35.0 °C(Predicted)
Density: 2.571 · 2.571±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 5.83 · 5.83±0.28(Predicted)
color: White to Light yellow to Light orange
InChI: 1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
InChIKey: YADZSMVDNYXOOB-UHFFFAOYSA-N
SMILES: Oc1c(Br)cc(Br)c(O)c1Br
CAS DataBase Reference: 2437 · 2437-49-2(CAS DataBase Reference)
FDA UNII: 86 OZJ65140 · 86OZJ65140
UNSPSC Code

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: VH3500000
hs_code: 2907.22.5000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
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

Uses2,4,6-Tribromoresorcinol was quantified by using five-point calibration curves with data points.

General Description2,4,6-Tribromoresorcinol was quantified by using five-point calibration curves with data points.

Suppliers63 total

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

江苏星科元信息科技有限公司400-605-7200 15335295587

Related reactions

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Compound notes

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