2-Chloro-4-methylbenzoic Acid - CAS 7697-25-8

Catalog:	BB035768
Product Name:	2-Chloro-4-methylbenzoic Acid
CAS:	7697-25-8
Synonyms:	2-chloro-4-methylbenzoic acid; 2-chloro-4-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-methylbenzoic acid
Description:	2-Chloro-4-methylbenzoic Acid (CAS# 7697-25-8) is a useful research chemical.
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	CC1=CC(=C(C=C1)C(=O)O)Cl
InChI:	InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key:	MYJUBDJLKREUGU-UHFFFAOYSA-N
Boiling Point:	303.5 °C at 760 mmHg
Flash Point:	137.4°C
Density:	1.31 g/cm³
MDL:	MFCD03094667
LogP:	2.34660
Refractive Index:	1.573

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0134572
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.0134572
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4