Basic information
- CAS
27505-78-8- Standard SMILES
Cc1[nH]c2c(C)cccc2c1C- InChIKey
USKKDNORVCJALM-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 2,3,7-Trimethylindole
- IUPAC
- 2,3,7-trimethyl-1H-indole
- English name
- 2,3,7-Trimethylindole
- Molecular formula
- C11H13N
- Molecular weight
- 159.23
Names & synonyms
2,3,7-Trimethylindole2,3,7-Trimethyl-1H-indole27505-78-81H-Indole, 2,3,7-trimethyl-B4TH2M5RNWUNII-B4TH2M5RNWNSC 90785NSC-90785DTXSID20181921RefChem:81465DTXCID60104412USKKDNORVCJALM-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB0039762,3,7-Trimethylindole,99%
MFCD00044721CHEMBL5287208NSC90785SCHEMBL53415932,3,7-trimethylindole, AldrichCPRBDBM50612698GEO-02421SBB003976
Database identifiers
- CAS
27505-78-8- PubChem CID
- 96869
- DTXSID
DTXSID20181921- ChEMBL
CHEMBL5287208- UNII
- B4TH2M5RNW
- EC Number
- 808-985-6
- Nikkaji
- J46.569K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 274.74 °C · 274.74°C (rough estimate)
- Density
- 1.0293 · 1.0293 (rough estimate)
- refractive index
- 1.5466 · 1.5466 (estimate)
- storage temp.
- 0 · 0-6°C
- form
- solid
- InChI
- 1S/C11H13N/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6,12H,1-3H3
- InChIKey
- USKKDNORVCJALM-UHFFFAOYSA-N
- SMILES
- Cc1cccc2c(C)c(C)[nH]c12
- FDA UNII
- 4 TH2M5RNW · B4TH2M5RNW
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P391-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-51/53
- Safety Statements
- 24 · 24/25-61
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 24/25-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Applications
Uses2,3,7-Trimethylindole is a useful reactant for the synthesis and preparation of organic compounds.
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Zjartspharm Co., Ltd15068876005 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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