1,3,5-Tris(bromomethyl)benzene

HCID 530258

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 18226-42-1
Standard SMILES: BrCc1cc(CBr)cc(CBr)c1
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
Molecular formula: C9H9Br3
Average molar mass: 356.88 g/mol
Monoisotopic mass: 353.82543659

Names & identifiers

Preferred name: 1,3,5-Tris(bromomethyl)benzene
IUPAC: 1,3,5-tris(bromomethyl)benzene
English name: 1,3,5-Tris(bromomethyl)benzene
Molecular formula: C9H9Br3
Molecular weight: 356.88

Names & synonyms

1,3,5-Tris(bromomethyl)benzene18226-42-1Benzene, 1,3,5-tris(bromomethyl)-DTXSID20336232RefChem:72361DTXCID70287321629-248-3GHITVUOBZBZMND-UHFFFAOYSA-N1,3,5-(Tribromomethyl)benzeneMFCD00182500tris-(Bromomethyl)benzenealpha,alpha',alpha''-Tribromomesitylene

Show more names

1,3,5-Tris(bromometh1,3,5-Tris(bromomethyL1，3，5-tri(bromethyl)benzene1,3,5-TRIS(BROMOMETHYL)BENZENE,98%1 3 5-TRIS(BROMOMETHYL)BENZENE 971,3,5-Tris(broMoMethyl)benzene 97%

1,3,5-trisbromomethyl benzeneAKOS015836010CS-W004613PS-99891,3,5-Tris(bromomethyl)benzene, 97%EN300-218677Q274679341,3,5-tri(bromomethyl)benzene

Database identifiers

CAS: 18226-42-1
PubChem CID: 530258
DTXSID: DTXSID20336232
EC Number: 629-248-3
Nikkaji: J545.079I

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 91.2

Physicochemical properties

Melting point: 94 · 94-99 °C
Boiling point: 352.2 · 352.2±37.0 °C(Predicted)
Density: 2.005 · 2.005±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: powder to crystal
color: White to Light yellow
InChI: InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
SMILES: C1(CBr)=CC(CBr)=CC(CBr)=C1
CAS DataBase Reference: 18226 · 18226-42-1(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

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: 29039990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

Uses1,3,5-Tris(bromomethyl)benzene can be used to treat bacterial infections and potentiation of antibiotics.

General Description1,3,5-Tris(bromomethyl)benzene has three bromo substituents around an aromatic ring that can be used as a cross-linker. It is mainly utilized in the synthesis of ligands and dendrimeric monomers.

Upstream & downstream products

Upstream raw materials

1,3-Benzenedicarboxylic acid, 5-(methoxymethyl)-, 1,3-dimethyl ester Benzenemethanol, 3,5-bis(bromomethyl)-Trimesic acid 3,5-Bis(bromomethyl)toluene 5-METHYLISOPTHALIC ACID DIMETHYLESTER 1,3,5-Benzenetricarboxylic acid chloride 1,3,5-BENZENETRIMETHANOL TRIMETHYL 1,3,5-BENZENETRICARBOXYLATE Triethyl 1,3,5-benzenetricarboxylate Mesitylene Dimethyl 5-(bromomethyl)isophthalate Propargyl bromide

Downstream products

3,5-Bis(bromomethyl)toluene

Suppliers100 total

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

苏州道澜生物医药科技有限公司15952404857 · [email protected]

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

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

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Related reactions

10 records

New reaction record

HRID 5552As reactantuspto-grants-1993_09

HRID 5553As reactantuspto-grants-1993_09

HRID 345190As reactantuspto-grants-1991_10

HRID 922624As reactantuspto-grants-2016_03

HRID 922691As reactantuspto-grants-2016_03

HRID 922692As reactantuspto-grants-2016_03

HRID 1030772As reactantuspto-grants-1992_04

HRID 1086946As reactantuspto-grants-1991_07

Compound notes

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