Basic information
- CAS
16732-75-5- Standard SMILES
O=C(O)c1cc2ccc(Cl)cc2[nH]1- InChIKey
BKPSJOSKWKTWAG-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO2
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0087061
Names & identifiers
- Preferred name
- 6-Chloro-1H-indole-2-carboxylic acid
- IUPAC
- 6-chloro-1H-indole-2-carboxylic acid
- English name
- 6-Chloroindole-2-carboxylic acid
- Molecular formula
- C9H6ClNO2
- Molecular weight
- 195.6
Names & synonyms
16732-75-56-Chloro-1H-indole-2-carboxylic acidEINECS 240-799-5DTXSID20168277RefChem:104369DTXCID4090768240-799-56-Chloroindole-2-carboxylic acid1H-Indole-2-carboxylic acid, 6-chloro-6-Chloroindole-2-carboxylicacidMFCD01863157Oprea1_764381
Show more names
eIF4A3-IN-19AKOS JY20834476-Chloro-1H-indol-2-carboxylic acid6-Chloro-1H-indole-2-carboxylic acid ,97%
CHEMBL231346-chloro-2-indolecarboxylic acid2-carboxy-6-chloroindoleSCHEMBL671001A1C1Morb3210081SCHEMBL30310328BDBM50235743
Database identifiers
- CAS
16732-75-5- PubChem CID
- 85584
- DTXSID
DTXSID20168277- ChEMBL
CHEMBL23134- EC Number
- 240-799-5
- Nikkaji
- J236.845E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 248 · 248-249 °C
- Boiling point
- 449.7 · 449.7±25.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- Solid
- pka
- 4.3 · 4.30±0.30(Predicted)
- Appearance
- Off-white to light yellow Solid
- CAS DataBase Reference
- 16732 · 16732-75-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
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 (33.3%): 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 3 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 (33.3%)
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses6-Chloroindole-2-carboxylic Acid is used in preparation of heterocyclic compounds, notably indole derivatives useful in the treatment of disorders that lead to accumulation of oxalate.
Upstream & downstream products
Upstream raw materials
Suppliers77 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Related reactions
12 records
Compound notes
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