Basic information
- Standard SMILES
COC(=O)c1cc(Cl)c(N)cc1O- InChIKey
SXMFZXQWMHJMOH-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3
- Average molar mass
- 201.61 g/mol
- Monoisotopic mass
- 201.0192708
Names & identifiers
- Preferred name
- Methyl 4-amino-5-chloro-2-hydroxybenzoate
- IUPAC
- methyl 4-amino-5-chloro-2-hydroxybenzoate
- English name
- methyl 4-amino-5-chloro-2-hydroxybenzoate
- Molecular formula
- C8H8ClNO3
- Molecular weight
- 201.61
Names & synonyms
methyl 4-amino-5-chloro-2-hydroxybenzoate129511-06-4MFCD24387293Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester4-amino-5-chloro-2-hydroxybenzoic acid methyl esterYVA4XM9HWCPrucalopride Impurity 63SCHEMBL3566173DTXSID90564984methyl 4-amino-5-chlorosalicylateSXMFZXQWMHJMOH-UHFFFAOYSA-NEFA51106
Show more names
4-Amino-5-chloro-2-hydroxy-benzoic acid methyl esterPrucalopride Impurity 35Q: What is Prucalopride Impurity 35 Q: What is the CAS Number of Prucalopride Impurity 35
AC3675AKOS024210143AS-69854methyl4-amino-5-chloro-2-hydroxybenzoateSY214679DB-143286methyl 4-amino-5-chloro-2-hydroxy-benzoateCS-0094578
Database identifiers
- CAS
129511-06-4- PubChem CID
- 14883223
- DTXSID
DTXSID90564984- UNII
- YVA4XM9HWC
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 350.6 · 350.6±37.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 9.38 · 9.38±0.23(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
上海康恩博医药科技有限公司17510465506 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
福州福康医药科技有限公司18150835816
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
27 records
Linked notes
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