2-(Chloromethyl)phenyl isocyanate - CAS 52986-66-0
Catalog: |
BB028008 |
Product Name: |
2-(Chloromethyl)phenyl isocyanate |
CAS: |
52986-66-0 |
Synonyms: |
1-(chloromethyl)-2-isocyanatobenzene |
IUPAC Name: | 1-(chloromethyl)-2-isocyanatobenzene |
Description: | 2-(Chloromethyl)phenyl isocyanate (CAS# 52986-66-0) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1=CC=C(C(=C1)CCl)N=C=O |
InChI: | InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2 |
InChI Key: | XTYOTPBIDRGAML-UHFFFAOYSA-N |
Boiling Point: | 45 ℃ (0.2 torr) |
Density: | 1.241 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00077427 |
LogP: | 2.39270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021017582-A | How to decolorize lignin, how to prepare decolorized lignin, how to make a transparent film of lignin, and white lignin | 20190716 |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
WO-2020163092-A1 | Phenyl isocyanate conversion process | 20190207 |
WO-2020117408-A1 | Method for converting monoisocyanates to ureas | 20181207 |
EP-3891125-A1 | Method for converting monoisocyanates to ureas | 20181207 |
PMID | Publication Date | Title | Journal |
17168593 | 20061222 | Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds | The Journal of organic chemistry |
Complexity: | 166 |
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: | 2 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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