Basic information
- CAS
5257-24-9- Standard SMILES
Cc1c(C=O)[nH]c2ccccc12- InChIKey
GHSUORIVDBPKKQ-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 3-Methyl-1H-indole-2-carbaldehyde
- IUPAC
- 3-methyl-1H-indole-2-carbaldehyde
- English name
- 3-Methyl-1H-indole-2-carbaldehyde
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
3-Methyl-1H-indole-2-carbaldehyde5257-24-9DTXSID80298761RefChem:1068180DTXCID202498983-METHYLINDOLE-2-CARBOXALDEHYDEMFCD00957066Methylindolaldehyd3-methyl-1H-indole-2-carboxaldehyde2-FORMYL-3-METHYLINDOLE3-methyl-2-indolecarbaldehyde3-methylindole-2-carbaldehyde
Show more names
CHEMBRDG-BB 4003347TIMTEC-BB SBB0104123-Methylindole-2-carboxaldehyde,97%1H-Indole-2-carboxaldehyde, 3-methyl-3-Methyl-1H-indole-2-carboxaldehyde 96%
SCHEMBL12544863- Methyl-2-hydroxymethylenindolFS-61183-Methyl-1H-indole-2-carboxaldehyde, 96%NSC125870A8291513-methyl-indole-2-carbaldehydeSCHEMBL2929140
Database identifiers
- CAS
5257-24-9- PubChem CID
- 277260
- DTXSID
DTXSID80298761- EC Number
- 803-912-4
- Nikkaji
- J274.214D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 140 · 140-142°C
- Boiling point
- 344.2 · 344.2±22.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.35 · 15.35±0.30(Predicted)
- form
- Solid
- Appearance
- Off-white to yellow Solid
- Sensitive
- Air & Moisture Sensitive
- InChI
- 1S/C10H9NO/c1-7-8-4-2-3-5-9(8)11-10(7)6-12/h2-6,11H,1H3
- InChIKey
- GHSUORIVDBPKKQ-UHFFFAOYSA-N
- SMILES
- [nH]1c2c(c(c1C=O)C)cccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412-H315-H319-H335
- Precautionary statements
- 273 · P273-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H412-H315-H319-H335
- Precautionary statements
- P273-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers38 total
上海策嵘生物科技有限公司[email protected]
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上海腾准生物科技有限公司19821570922 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
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上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
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重庆卡兰医药有限公司[email protected]
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上海盛袖生物科技有限公司13761144602 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海奥德瑞康医药有限公司18902198068 18912886236 · [email protected]
Related reactions
47 records
Compound notes
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