3-Chloro-2-methylbenzoic acid - CAS 7499-08-3

Name: 3-Chloro-2-methylbenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035211
Product Name:	3-Chloro-2-methylbenzoic acid
CAS:	7499-08-3
Synonyms:	Benzoic acid, 3-chloro-2-methyl-; o-Toluic acid, 3-chloro-; 2-Methyl-3-chlorobenzoic acid; NSC 407522

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-2-methylbenzoic acid
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	CC1=C(C=CC=C1Cl)C(=O)O
InChI:	InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key:	HXGHMCLCSPQMOR-UHFFFAOYSA-N
Boiling Point:	290.9±20.0°C at 760 mmHg
Melting Point:	102°C
Purity:	95%
Density:	1.310±0.06 g/cm3
Solubility:	Soluble in Methanol
Appearance:	White to Light Yellow to Light Orange Powder to Crystal
Storage:	Store at RT
MDL:	MFCD00053312
LogP:	2.34660

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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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:	2.4