Basic information
- CAS
712319-44-3- Standard SMILES
CS(=O)(=O)N1CCc2cc(C(=O)O)ccc21- InChIKey
JNMXVSCEGKFVJR-UHFFFAOYSA-N- Molecular formula
- C10H11NO4S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.04087901
Names & identifiers
- Preferred name
- 1-methanesulfonyl-2,3-dihydro-1H-indole-5-carboxylic acid
- IUPAC
- 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
- English name
- 1-METHANESULFONYL-2,3-DIHYDRO-1 H-INDOLE-5-CARBOXYLIC ACID
- Molecular formula
- C10H11NO4S
- Molecular weight
- 241.26
Names & synonyms
712319-44-31-Methanesulfonyl-2,3-dihydro-1H-indole-5-carboxylic acidRefChem:433444996-936-01-(methylsulfonyl)indoline-5-carboxylic acidMFCD056251631-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid1-methanesulfonyl-2,3-dihydro-1 h-indole-5-carboxylic acid1H-Indole-5-carboxylic acid, 2,3-dihydro-1-(methylsulfonyl)-1-Methylsulfonylindoline-5-carboxylic acid1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxylic acidSMR000078855
Show more names
ASISCHEM D48895Reaxys ID: 229122172,3-Dihydro-1-(methylsulfonyl)-1H-indol-5-carboxylic acid1H-indole-5-carboxylic acid, 2,3-dihydro-1-(methylsulfonyl2,3-Dihydro-1-(methylsulfonyl)-1H-indole-5-carboxylic acid1-(methylsulfonyl)indoline-5-carboxylic acid(SALTDATA: FREE)
MLS000065241CHEMBL1882169SCHEMBL12682923SCHEMBL40068281HMS2178N24ALBB-010211BBL003516SBB027560
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- 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
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, P317, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses1-Methanesulfonyl-2,3-dihydro-1h-indole-5-carboxylic acid
Upstream & downstream products
Upstream raw materials
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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