Basic information
- CAS
356773-97-2- Standard SMILES
Cc1c(C)n(C)c2ccc(C(=O)O)cc12- InChIKey
WMRXNYCNGNFJOH-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 1,2,3-Trimethyl-1H-indole-5-carboxylic acid
- IUPAC
- 1,2,3-trimethylindole-5-carboxylic acid
- English name
- 1,2,3-Trimethyl-1H-indole-5-carboxylic acid
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
1,2,3-Trimethyl-1H-indole-5-carboxylic acid356773-97-2DTXSID30346044RefChem:214748DTXCID20297117857-739-41,2,3-trimethylindole-5-carboxylic acidMFCD02090841Cambridge id 6329825Oprea1_376800Oprea1_535148SCHEMBL1586533
Show more names
1,2,3-Trimethyl-1H-indol-5-carboxylic acid1H-Indole-5-carboxylic acid, 1,2,3-trimethyl-1,2,3-Trimethyl-1h-indole-5-carboxylic acid - [T94158]
TIMTEC-BB SBB009154AKOS B000156WMRXNYCNGNFJOH-UHFFFAOYSA-NART-CHEM-BB B000156HMS1703O18GPA77397SBB009154STK301597
Database identifiers
- CAS
356773-97-2- PubChem CID
- 609042
- DTXSID
DTXSID30346044- EC Number
- 857-739-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 415.3 · 415.3±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.56 · 4.56±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers15 total
上海策嵘生物科技有限公司[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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