4-Chloroisophthalic acid
Basic information
- CAS
2845-85-4- Standard SMILES
O=C(O)c1ccc(Cl)c(C(=O)O)c1- InChIKey
APLYBKHRTXFIBT-UHFFFAOYSA-N- Molecular formula
- C8H5ClO4
- Average molar mass
- 200.57 g/mol
- Monoisotopic mass
- 199.9876363
Overview
See also: 4-Chloroisophthalic acid; 95% (annotation moved to).
Names & identifiers
- Preferred name
- 4-Chloroisophthalic acid
- IUPAC
- 4-chlorobenzene-1,3-dicarboxylic acid
- English name
- 4-chloroisophthalic acid
- Molecular formula
- C8H5ClO4
- Molecular weight
- 200.58
Names & synonyms
4-Chloroisophthalic acid2845-85-44-chlorobenzene-1,3-dicarboxylic acid1,3-Benzenedicarboxylic acid, 4-chloro-MFCD12027303Isophthalic acid, 4-chloro-4-chloro-1,3-benzenedicarboxylic acidSCHEMBL698804-Chloroisophthalic acid97%orb3217272DTXSID00325260ALBB-007088
Show more names
4-Chloroisophthalic acid，97%
NSC409493AKOS005171635NSC-409493AS-58102SY024757CS-0098698C74462F366982
Database identifiers
- CAS
2845-85-4- PubChem CID
- 349658
- DTXSID
DTXSID00325260- Nikkaji
- J153.030E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 290 °C · >290 °C
- Boiling point
- 424.9 · 424.9±30.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.51 · 2.51±0.25(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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