Basic information
- CAS
1131-40-4- Standard SMILES
COc1cc(OC)c(Br)c(OC)c1- InChIKey
BPWYNWSOQOXOPI-UHFFFAOYSA-N- Molecular formula
- C9H11BrO3
- Average molar mass
- 247.09 g/mol
- Monoisotopic mass
- 245.98916
Names & identifiers
- Preferred name
- 2-Bromo-1,3,5-trimethoxybenzene
- IUPAC
- 2-bromo-1,3,5-trimethoxybenzene
- English name
- 1-Bromo-2,4,6-trimethoxybenzene
- Molecular formula
- C9H11BrO3
- Molecular weight
- 247.09
Names & synonyms
2-Bromo-1,3,5-trimethoxybenzene1131-40-42,4,6-TrimethoxybromobenzeneBenzene, 2-bromo-1,3,5-trimethoxy-EINECS 214-464-9NSC 151970DTXSID4061547RefChem:85608DTXCID2033314214-464-9BPWYNWSOQOXOPI-UHFFFAOYSA-N1-Bromo-2,4,6-trimethoxybenzene
Show more names
RARECHEM AH CK 0052BROMO-2,4,6-TRIMETHOXYBENZENE2,4,6-Trimethoxyphenyl bromide2-Bromo-1,3,5-trimethoxybenzene 98%1-Bromo-2,4,6-trimethoxybenzene 98%N-methylcarbamic acid [(5-methyl-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl] ester
MFCD00040757Bromophloroglucinol trimethyl ether1-Bromo-2,4,6-trimethoxy-benzeneNSC-1519702-Bromo-1,3,5-trimethoxy-benzeneNSC151970Q29UM2QW7C2-Bromo-1,5-trimethoxybenzene
Database identifiers
- CAS
1131-40-4- PubChem CID
- 70802
- DTXSID
DTXSID4061547- UNII
- Q29UM2QW7C
- EC Number
- 214-464-9
- Nikkaji
- J203.375E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 97 · 97-99°C
- Boiling point
- 303.5 · 303.5±37.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- White
- InChI
- InChI=1S/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3
- InChIKey
- BPWYNWSOQOXOPI-UHFFFAOYSA-N
- SMILES
- C1(OC)=CC(OC)=CC(OC)=C1Br
- CAS DataBase Reference
- 1131 · 1131-40-4(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Bromo-1,3,5-trimethoxybenzene (1131-40-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29093090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2-bromo-1,3,5-trimethoxy-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers56 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司0555-2761852
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
7 records
Compound notes
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