Basic information
- CAS
281232-89-1- Standard SMILES
O=C(O)c1ccc(-c2ccnc(Cl)n2)cc1- InChIKey
PIFZVVITMGNVMA-UHFFFAOYSA-N- Molecular formula
- C11H7ClN2O2
- Average molar mass
- 234.64 g/mol
- Monoisotopic mass
- 234.0196052
Names & identifiers
- Preferred name
- 4-(2-Chloro-4-pyrimidinyl)benzoic acid
- IUPAC
- 4-(2-chloropyrimidin-4-yl)benzoic acid
- English name
- 4-(2-Chloro-pyrimidin-4-yl)-benzoic acid
- Molecular formula
- C11H7ClN2O2
- Molecular weight
- 234.64
Names & synonyms
281232-89-14-(2-Chloro-4-pyrimidinyl)benzoic acidDTXSID001283940RefChem:512312DTXCID1017144254-(2-Chloropyrimidin-4-yl)benzoic acid4-[2-chloro-pyrimidin-4-yl]-benzoic acidRLA8V5NC92SCHEMBL7226376PIFZVVITMGNVMA-UHFFFAOYSA-NSBB0526284-(2-Chloropyrimidin-4-yl)benzoicacid
Show more names
4-(2-Chloro-pyrimidin-4-yl)-benzoic acid
SB58359DA-42914Benzoic acid, 4-(2-chloro-4-pyrimidinyl)-H66918
Database identifiers
- CAS
281232-89-1- PubChem CID
- 18617455
- DTXSID
DTXSID001283940- UNII
- RLA8V5NC92
- EC Number
- 111-301-2
- Nikkaji
- J1.308.243J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H7ClN2O2/c12-11-13-6-5-9(14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)
- InChIKey
- PIFZVVITMGNVMA-UHFFFAOYSA-N
- SMILES
- ClC1=NC=CC(C2=CC=C(C(O)=O)C=C2)=N1
- FDA UNII
- 8 V5NC92 · RLA8V5NC92
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319
- Precautionary statements
- 261 · P261-P264-P280-P333+P313-P337+P313
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
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, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P280-P333+P313-P337+P313
Chemistry & industry
Suppliers8 total
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
安徽合诺生物科技有限公司0555-2761852
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
安徽合诺生物科技有限公司18455579438
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
5 records
Compound notes
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