Basic information
- CAS
56961-31-0- Standard SMILES
O=C(O)c1c(O)cccc1Cl- InChIKey
QCEPIUWMXRQPIF-UHFFFAOYSA-N- Molecular formula
- C7H5ClO3
- Average molar mass
- 172.56 g/mol
- Monoisotopic mass
- 171.9927217
Names & identifiers
- Preferred name
- 2-Chloro-6-hydroxybenzoic acid
- IUPAC
- 2-chloro-6-hydroxybenzoic acid
- English name
- 6-Chlorosalicylic Acid
- Molecular formula
- C7H5ClO3
- Molecular weight
- 172.57
Names & synonyms
2-chloro-6-hydroxybenzoic acidRefChem:469651964-562-756961-31-06-Chlorosalicylic acidBenzoic Acid, 2-chloro-6-hydroxy-2-chloro-6-hydroxy-Benzoicacid6-chloro-2-hydroxybenzoic acidMFCD10687031SCHEMBL330729DTXSID902055272-Hydroxy-6-chlorobenzoic acid
Show more names
6-Chlorosalicylic Acid,>98%phosphorous acid tris(2,6-dimethylphenyl) ester2-Chloro-6-hydroxybenzoic acid (6-chlorosalicylic acid)
2-chloro-6-hydroxy-benzoic acidQCEPIUWMXRQPIF-UHFFFAQCEPIUWMXRQPIF-UHFFFAOYSA-NCL8130SBB065972AKOS005259280CS-W018603FS-3098
Database identifiers
- CAS
56961-31-0- PubChem CID
- 92591
- DTXSID
DTXSID90205527- EC Number
- 964-562-7
- Nikkaji
- J135.895B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 171.5 · 171.5-172.5 °C
- Boiling point
- 309.4 · 309.4±27.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 2.55 · 2.55±0.25(Predicted)
- Appearance
- White to light brown Solid
- InChI
- InChI=1S/C7H5ClO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9H,(H,10,11)
- InChIKey
- QCEPIUWMXRQPIF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=C(O)C=CC=C1Cl
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers82 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
Related reactions
12 records
Compound notes
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