Hexakis(bromomethyl)benzene

HCID 76540

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Basic information

CAS: 3095-73-6
Standard SMILES: BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr
InChIKey: XJOUCILNLRXRTF-UHFFFAOYSA-N
Molecular formula: C12H12Br6
Average molar mass: 635.6 g/mol
Monoisotopic mass: 629.60393

Names & identifiers

Preferred name: Hexakis(bromomethyl)benzene
IUPAC: 1,2,3,4,5,6-hexakis(bromomethyl)benzene
English name: Hexakis(bromomethyl)benzene
Molecular formula: C12H12Br6
Molecular weight: 635.65

Names & synonyms

Hexakis(bromomethyl)benzene3095-73-61,2,3,4,5,6-hexakis(bromomethyl)benzeneBenzene, hexakis(bromomethyl)-9L5YE6ET3RDTXSID70184927EINECS 221-443-8NSC-28057NSC 28057RefChem:786190DTXCID10107418221-443-8

Show more names

RMA-435hexabromethylbenzeneHexabromomethylbenzeneHexakis(brommethyl)benzolHexakis(bromomethyl)benzene>1,2,3,4,5,6-Hexa(bromomethyl)benzene1,2,3,4,5,6-HEXAKIS-BROMOMETHYL-BENZENEBenzene,1,2,3,4,5,6-hexakis(bromomethyl)-

Hexa(bromomethyl)benzeneBenzene, 1,2,3,4,5,6-hexakis(bromomethyl)-MFCD00182539Hexakis(bromomethyl)benzene, 98%AKOS004908004BS-43977SY049143EN300-217848

Database identifiers

CAS: 3095-73-6
PubChem CID: 76540
DTXSID: DTXSID70184927
UNII: 9L5YE6ET3R
EC Number: 221-443-8
Nikkaji: J217.268B

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 295 · 295-297 °C (lit.)
Boiling point: 498.3 · 498.3±40.0 °C(Predicted)
Density: 2.386 · 2.386±0.06 g/cm3(Predicted)
storage temp.: RT, stored under nitrogen
form: powder to crystal
color: White to Almost white
InChI: 1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2
InChIKey: XJOUCILNLRXRTF-UHFFFAOYSA-N
SMILES: BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr
CAS DataBase Reference: 3095 · 3095-73-6(CAS DataBase Reference)
FDA UNII: 9 L5YE6ET3R · 9L5YE6ET3R
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314

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

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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 Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2903.99.8001
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 22-26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements

Chemistry & industry

Suppliers73 total

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]

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

河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

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Compound notes

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