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Home >> Chemical Listing >> Page 160 >> 3-Isothiocyanato-4-Methylbenzoic Acid

3-Isothiocyanato-4-Methylbenzoic Acid
[CAS# 114379-99-6]

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Identification
Name 3-Isothiocyanato-4-Methylbenzoic Acid
Synonyms 3-isothiocyanato-4-methylbenzoic acid
Molecular Structure CAS#: 114379-99-6, 3-Isothiocyanato-4-Methylbenzoic Acid
Molecular Formula C9H7NO2S
Molecular Weight 193.22
CAS Registry Number 114379-99-6
SMILES Cc1ccc(cc1N=C=S)C(=O)O
InChI 1S/C9H7NO2S/c1-6-2-3-7(9(11)12)4-8(6)10-5-13/h2-4H,1H3,(H,11,12)
InChIKey LPODZMBNYZGYRV-UHFFFAOYSA-N
Properties
Density 1.239g/cm3 (Cal.)
Boiling point 401.223°C at 760 mmHg (Cal.)
Flash point 196.453°C (Cal.)
Refractive index 1.6 (Cal.)
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