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Basic information
- CAS
372089-59-3- Standard SMILES
COC(=O)c1cc2ccc(Br)cc2[nH]1- InChIKey
BUMYRKNZGPXFEG-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO2
- Average molar mass
- 254.08 g/mol
- Monoisotopic mass
- 252.9738406
Names & identifiers
- Preferred name
- methyl 6-bromo-1H-indole-2-carboxylate
- IUPAC
- methyl 6-bromo-1H-indole-2-carboxylate
- English name
- 6-BROMO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C10H8BrNO2
- Molecular weight
- 254.08
Names & synonyms
methyl 6-bromo-1H-indole-2-carboxylate372089-59-3DTXSID80353804RefChem:356264DTXCID90304867962-789-66-BROMO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTERMFCD00590200METHYL 6-BROMOINDOLE-2-CARBOXYLATEAKOS000123957CS-W022873methyl6-bromo-1H-indole-2-carboxylate
Show more names
AKOS JY2083110Methyl 6-bromo-1H-indole-2-carboxylate≥ 99% (HPLC)1H-Indole-2-carboxylic acid, 6-broMo-, Methyl ester
EN300-45102SR-01000202824A1CPVBB 0254322CBDivE_015709SCHEMBL2081729SCHEMBL30310655MFCD00590
Database identifiers
- CAS
372089-59-3- PubChem CID
- 754141
- DTXSID
DTXSID80353804- EC Number
- 962-789-6
- Nikkaji
- J2.475.480D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 386.2 · 386.2±22.0 °C(Predicted)
- Density
- 1.629 · 1.629±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in acetone.
- pka
- 14.04 · 14.04±0.30(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 6-bromoindole-2-carboxylate, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Suppliers92 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
1 records
Compound notes
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