Basic information
- CAS
38186-88-8- Standard SMILES
O=C(O)c1cc(F)cnc1Cl- InChIKey
WMADTZFXZAITIR-UHFFFAOYSA-N- Molecular formula
- C6H3ClFNO2
- Average molar mass
- 175.54 g/mol
- Monoisotopic mass
- 174.98363424
Names & identifiers
- Preferred name
- 2-Chloro-5-fluoronicotinic acid
- IUPAC
- 2-chloro-5-fluoropyridine-3-carboxylic acid
- English name
- 2-Chloro-5-fluoronicotinic acid
- Molecular formula
- C6H3ClFNO2
- Molecular weight
- 175.54
Names & synonyms
2-chloro-5-fluoronicotinic acid38186-88-82-chloro-5-fluoropyridine-3-carboxylic acidDTXSID30465724RefChem:469332DTXCID20416543636-808-02-Chloro-5-fluoro-nicotinic acidMFCD030929322-chloro-5-fluoro nicotinic acidSCHEMBL290570PB34056
Show more names
2-chloro-5-fluoronicotinic2-Chloro-5-FluoronicotinicAci2-chloro -5-fluorinenicotinic acid2--5-fluorinechlorinenicotinic acid2-Chloro-5-fluoronicotinic acid 98%2-Chloro-5-fluoronicotinic acid ,98%2-Chloro-5-fluoropyridin-3-carboxylic acid
PS-6915AC-24780Z12031623622-Chloro-5-fluoropyridine-3-carboxylic acid, technical grade2-Chloro-5-fluoronicotinicacid3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-FLUORO-2-chloro-5-fluoro-pyridine-3-carboxylic AcidA6484
Database identifiers
- CAS
38186-88-8- PubChem CID
- 11435243
- DTXSID
DTXSID30465724- EC Number
- 636-808-0
- Nikkaji
- J2.329.454K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 141 · 141-142°C
- Boiling point
- 297 · 297.0±35.0 °C(Predicted)
- Density
- 1.576 · 1.576±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.67 · 1.67±0.25(Predicted)
- form
- powder
- color
- Off-white
- InChI
- InChI=1S/C6H3ClFNO2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2H,(H,10,11)
- InChIKey
- WMADTZFXZAITIR-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(F)C=C1C(O)=O
- CAS DataBase Reference
- 38186 · 38186-88-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 7/9-24/25-26-36/37-38-51
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
Related reactions
68 records
Compound notes
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