Basic information
- CAS
51904-91-7- Standard SMILES
COc1ccc(S(=O)(=O)Cl)cc1C(=O)O- InChIKey
OUBZCDOQEMLMAB-UHFFFAOYSA-N- Molecular formula
- C8H7ClO5S
- Average molar mass
- 250.66 g/mol
- Monoisotopic mass
- 249.970272
Names & identifiers
- Preferred name
- 5-Chlorosulphonyl-2-anisic acid
- IUPAC
- 5-chlorosulfonyl-2-methoxybenzoic acid
- English name
- 5-chlorosulphonyl-2-anisic acid
- Molecular formula
- C8H7ClO5S
- Molecular weight
- 250.66
Names & synonyms
51904-91-75-(Chlorosulfonyl)-2-methoxybenzoic acid5-Chlorosulphonyl-2-anisic acidEINECS 257-507-7DTXSID60199868RefChem:535016DTXCID20122359257-507-75-chlorosulfonyl-2-methoxybenzoic acidMFCD00066912Benzoic acid, 5-(chlorosulfonyl)-2-methoxy-5-(Chlorosulphonyl)-2-methoxybenzoic acid
Show more names
Sulpride Impurity 7Tiapride Impurity 105-Chlorosulfonyl-2-MethoxybenzoicAci3-Carboxy-4-methoxybenzenesulphonyl chloride, 2-Carboxy-4-(chlorosulphonyl)anisole
5-(Chlorosulfonyl)-2-methoxybenzoicacid5-Chlorosulphonyl-2-Methoxybenzoic Acid2-Methoxy-5-(chlorosulfonyl)benzoic acid3-Carboxy-4-methoxybenzenesuofonyl chlorideSalicylic Acid Impurity 15Salicylic Acid Impurity 27SCHEMBL1364551SCHEMBL31079411
Database identifiers
- CAS
51904-91-7- PubChem CID
- 104007
- DTXSID
DTXSID60199868- EC Number
- 257-507-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 147 · 147-149 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 441.8 · 441.8±30.0 °C(Predicted)
- Density
- 1.541 · 1.541±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 2.89 · 2.89±0.10(Predicted)
- color
- White
- Sensitive
- Moisture Sensitive
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- HazardClass
- IRRITANT
- HS Code
- 2918999090 · 2918999090
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (83.3%)
Safety data
- hs_code
- 2918999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses5-Chlorosulphonyl-2-anisic acid is an intermediate between sulpiride and tiapride.
Suppliers37 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
上海智开医药科技有限公司15000251104 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Related reactions
17 records
Compound notes
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