Basic information
- CAS
10102-94-0- Standard SMILES
Cn1cc(C=O)c2cc(Br)ccc21- InChIKey
NZJJLQUTQOICBN-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.97893
Names & identifiers
- Preferred name
- 5-bromo-1-methyl-1H-indole-3-carbaldehyde
- IUPAC
- 5-bromo-1-methylindole-3-carbaldehyde
- English name
- CHEMBRDG-BB 5100225
- Molecular formula
- C10H8BrNO
- Molecular weight
- 238.08
Names & synonyms
5-bromo-1-methyl-1H-indole-3-carbaldehyde10102-94-0DTXSID70354668RefChem:301433DTXCID403057285-bromo-1-methylindole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 5-bromo-1-methyl-MFCD03906373CHEMBRDG-BB 51002255-bromo-1-methyl-1h-indole-3-carboxaldehydeCBDivE_009519SCHEMBL5437254
Show more names
5-bromo-1-methyl-3-indolecarboxaldehyde5-Bromo-1-methylindole-3-carboxaldehydeCHEMBRDG-BB 5100225 ISO 9001：2015 REACH5-BROMO-1-METHYL-1H-INDOLE-3-CARBALDEHYD
1H-Indole-3-carboxaldehyde,5-bromo-1-methyl-1-methyl-5-bromoindole-3-aldehydeALBB-008669BBL025587STK501676AKOS0001040045-bromo-1-methyl-indole-3-carbaldehydeAS-66479
Database identifiers
- CAS
10102-94-0- PubChem CID
- 778451
- DTXSID
DTXSID70354668- EC Number
- 107-932-8
- Nikkaji
- J1.461.147I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 134 · 134-136℃
- Boiling point
- 374.3 · 374.3±22.0 °C(Predicted)
- Density
- 1.52 · 1.52
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Bromo-1-methylindole-3-carboxaldehyde is an aldehyde derivative that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers45 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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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