4-Chloro-2-methylphenyl Isocyanate - CAS 37408-18-7
Catalog: |
BB023277 |
Product Name: |
4-Chloro-2-methylphenyl Isocyanate |
CAS: |
37408-18-7 |
Synonyms: |
4-chloro-1-isocyanato-2-methylbenzene; 4-chloro-1-isocyanato-2-methylbenzene |
IUPAC Name: | 4-chloro-1-isocyanato-2-methylbenzene |
Description: | 4-Chloro-2-methylphenyl Isocyanate (CAS# 37408-18-7) is an intermediate used in the preparation of chloromethylphenylcarbamate derivatives of cellulose for use as stationary phases of high-performance liquid chromatography. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | CC1=C(C=CC(=C1)Cl)N=C=O |
InChI: | InChI=1S/C8H6ClNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3 |
InChI Key: | FTZJLXIATZSKIL-UHFFFAOYSA-N |
Boiling Point: | 103 °C / 13 mmHg |
Density: | 1.17 g/cm3 |
MDL: | MFCD00019914 |
LogP: | 2.61570 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
JP-2017179269-A | Rubber wear resistance improver and use thereof | 20160331 |
CN-106232666-A | Post-modification polycarbodiimide | 20140220 |
CN-103509005-A | Quinazoline compound as well as preparation method and application thereof | 20130926 |
CN-103509005-B | Quinazoline compound as well as preparation method and application thereof | 20130926 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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