Cas no 29173-65-7 (4-(Chloromethyl)phenyl isocyanate)

4-(Chloromethyl)phenyl isocyanate is a versatile chemical intermediate used in organic synthesis and polymer chemistry. Its key functional groups—the isocyanate and chloromethyl moieties—enable efficient derivatization, making it valuable for producing urethanes, ureas, and other specialty compounds. The chloromethyl group facilitates further functionalization through nucleophilic substitution, while the isocyanate group reacts readily with amines, alcohols, and other nucleophiles. This compound is particularly useful in the preparation of crosslinked polymers, coatings, and adhesives, where its bifunctional reactivity enhances material properties. It is handled under controlled conditions due to its moisture sensitivity and reactivity. Suitable for research and industrial applications, it offers a balance of reactivity and structural flexibility.
4-(Chloromethyl)phenyl isocyanate structure
29173-65-7 structure
Product Name:4-(Chloromethyl)phenyl isocyanate
CAS No:29173-65-7
MF:C8H6ClNO
MW:167.592340946198
CID:88801
PubChem ID:24863357
Update Time:2025-06-07

4-(Chloromethyl)phenyl isocyanate Chemical and Physical Properties

Names and Identifiers

    • 4-(Chloromethyl)phenyl isocyanate
    • 1-(chloromethyl)-4-isocyanatobenzene
    • 1-Chloromethyl-4-isocyanato-benzene
    • 4-(chloromethyl)benzenisocyanate
    • 4-Chlormethyl-phenylisocyanat
    • Benzene, 1-(chloromethyl)-4-isocyanato-
    • OBYMZHLTKVXPQF-UHFFFAOYSA-N
    • 4-(CHLOROMETHyl)phenylisoCYANATE
    • DTXSID40369845
    • 29173-65-7
    • SCHEMBL93415
    • 4-(chloromethyl) phenyl isocyanate
    • EN300-6772552
    • A819795
    • W-200284
    • AKOS006223965
    • 4-(Chloromethyl)phenyl isocyanate, 97%
    • FT-0616729
    • GEO-00744
    • 1-(chloromethyl)-4-isocyanato-benzene
    • MFCD00134403
    • DB-047535
    • MDL： MFCD00134403
    • Inchi： 1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
    • InChI Key： OBYMZHLTKVXPQF-UHFFFAOYSA-N
    • SMILES： ClCC1C=CC(=CC=1)N=C=O
    • BRN： 2828900

Computed Properties

  • Exact Mass: 167.01400
  • Monoisotopic Mass: 167.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.1
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.216?g/mL?at 25?°C(lit.)
  • Melting Point: 32-33?°C (lit.)
  • Boiling Point: 115-117°C 10mm
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.5570 (estimate)
  • PSA: 29.43000
  • LogP: 2.39270
  • Solubility: Not determined
  • Sensitiveness: Moisture Sensitive

4-(Chloromethyl)phenyl isocyanate Security Information

4-(Chloromethyl)phenyl isocyanate Customs Data

  • HS CODE：2929109000
  • Customs Data：

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(Chloromethyl)phenyl isocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
C923447-5g
4-(Chloromethyl)phenyl isocyanate
 29173-65-7 97%
5g
 ￥1,144.80 2022-09-29
Chemenu
CM342719-1g
Benzene, 1-(chloromethyl)-4-isocyanato-
 29173-65-7 95%+
1g
 $222 2022-06-11
Chemenu
CM342719-5g
Benzene, 1-(chloromethyl)-4-isocyanato-
 29173-65-7 95%+
5g
 $700 2022-06-11
Chemenu
CM342719-10g
Benzene, 1-(chloromethyl)-4-isocyanato-
 29173-65-7 95%+
10g
 $1156 2022-06-11
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
375047-5G
4-(Chloromethyl)phenyl isocyanate
 29173-65-7
5g
 ￥1633.92 2023-12-07
Enamine
EN300-6772552-0.1g
1-(chloromethyl)-4-isocyanatobenzene
 29173-65-7 95%
0.1g
 $29.0 2023-05-25
Enamine
EN300-6772552-0.25g
1-(chloromethyl)-4-isocyanatobenzene
 29173-65-7 95%
0.25g
 $32.0 2023-05-25
Enamine
EN300-6772552-0.5g
1-(chloromethyl)-4-isocyanatobenzene
 29173-65-7 95%
0.5g
 $42.0 2023-05-25
Enamine
EN300-6772552-1.0g
1-(chloromethyl)-4-isocyanatobenzene
 29173-65-7 95%
1g
 $55.0 2023-05-25
Enamine
EN300-6772552-2.5g
1-(chloromethyl)-4-isocyanatobenzene
 29173-65-7 95%
2.5g
 $113.0 2023-05-25

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