Basic information
- CAS
14943-94-3- Standard SMILES
NCCSc1ccccc1C(=O)O- InChIKey
QMPRDIBFLDNMPD-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- 2-(2-Aminoethylthio)benzoic acid
- IUPAC
- 2-(2-aminoethylsulfanyl)benzoic acid
- English name
- 2-(2-aminoethylthio)benzoic acid
- Molecular weight
- 0
Names & synonyms
2-(2-aminoethylthio)benzoic acidDTXSID70329957RefChem:250394DTXCID8028105214943-94-32-[(2-aminoethyl)sulfanyl]benzoic acid73762-44-4Benzoic acid,2-[(2-aminoethyl)thio]-, hydrochloride (1:1)ALBB-032974PAA943942-[(2-aminoethyl)sulfanyl]benzoicacidAKOS004911648
Show more names
Nsc1731362-(2-aminoethylthio)benzoic acid hcl2-[(2-aminoethyl)thio]benzoic acid hydrochloride2-[(2-aminoethyl)sulfanyl]benzoic acid hydrochloride
LS-12369DB-063805DB-074739EN300-241860G50394
Database identifiers
- CAS
14943-94-3- PubChem CID
- 425348
- DTXSID
DTXSID70329957- EC Number
- 833-519-3
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-[(2-Aminoethyl)thio]benzoic acid hydrochloride is used as a reactant in the preparation of benzo condensed heterocycles with 7-membered rings.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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