4-(Chloromethyl)phenyl isocyanate - CAS 29173-65-7
Catalog: |
BB020116 |
Product Name: |
4-(Chloromethyl)phenyl isocyanate |
CAS: |
29173-65-7 |
Synonyms: |
1-(chloromethyl)-4-isocyanatobenzene |
IUPAC Name: | 1-(chloromethyl)-4-isocyanatobenzene |
Description: | 4-(Chloromethyl)phenyl isocyanate (CAS# 29173-65-7 ) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1=CC(=CC=C1CCl)N=C=O |
InChI: | InChI=1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2 |
InChI Key: | OBYMZHLTKVXPQF-UHFFFAOYSA-N |
Boiling Point: | 115-117 ℃ / 10 mmHg |
Melting Point: | 32-33 ℃(lit.) |
Purity: | 95 % |
Density: | 1.216 g/mL at 25 ℃(lit.) |
Appearance: | Yellow solid |
MDL: | MFCD00134403 |
LogP: | 2.39270 |
GHS Hazard Statement: | H302 (100%): 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 |
US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
WO-2020163092-A1 | Phenyl isocyanate conversion process | 20190207 |
CN-111518005-A | Intermediate compound and preparation method and application thereof | 20190201 |
PMID | Publication Date | Title | Journal |
16199022 | 20051212 | Anomeric O-acylation of Kdo using alkyl and aryl isocyanates | Carbohydrate research |
Complexity: | 158 |
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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