2,4,6-trichlorophenyl isocyanate

Modify Date: 2025-08-24 11:46:28

2,4,6-trichlorophenyl isocyanate Structure
2,4,6-trichlorophenyl isocyanate structure
Common Name 2,4,6-trichlorophenyl isocyanate
CAS Number 2505-31-9 Molecular Weight 222.45600
Density 1.51g/cm3 Boiling Point 101°C 2mm
Molecular Formula C7H2Cl3NO Melting Point 64-67 °C(lit.)
MSDS N/A Flash Point 101°C/2mm

 Names

Name 1,3,5-trichloro-2-isocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.51g/cm3
Boiling Point 101°C 2mm
Melting Point 64-67 °C(lit.)
Molecular Formula C7H2Cl3NO
Molecular Weight 222.45600
Flash Point 101°C/2mm
Exact Mass 220.92000
PSA 29.43000
LogP 3.61410
Vapour Pressure 0.0104mmHg at 25°C
Index of Refraction 1.597
InChIKey VDYWXVDWKFAUKE-UHFFFAOYSA-N
SMILES O=C=Nc1c(Cl)cc(Cl)cc1Cl
Storage condition Refrigerator

 Safety Information

Hazard Codes Xn: Harmful;Xi: Irritant;
Risk Phrases R23/25;R36/37/38;R42
Safety Phrases S22-S26-S36
RIDADR 2811
WGK Germany 3
Packaging Group II
Hazard Class 6.1
HS Code 2929109000

 Synthetic Route

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2,4,6-trichlorophenyl isocyanate Structure

2,4,6-trichloro...

CAS#:2505-31-9

Literature: US4477389 A1, ;

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2,4,6-trichlorophenyl isocyanate Structure

2,4,6-trichloro...

CAS#:2505-31-9

Literature: Journal of the American Chemical Society, , vol. 71, p. 743

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2,4,6-trichlorophenyl isocyanate Structure

2,4,6-trichloro...

CAS#:2505-31-9

Literature: Journal of the American Chemical Society, , vol. 68, p. 673

~29%

2,4,6-trichlorophenyl isocyanate Structure

2,4,6-trichloro...

CAS#:2505-31-9

Literature: Tietz, Helmut; Schwetlick, Klaus Zeitschrift fuer Chemie (Stuttgart, Germany), 1985 , vol. 25, # 4 p. 149 - 150

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2,4,6-trichlorophenyl isocyanate Structure

2,4,6-trichloro...

CAS#:2505-31-9

Literature: Heterocycles, , vol. 86, # 2 p. 1449 - 1463

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Detail
Literature: Zhurnal Obshchei Khimii, , vol. 24, p. 174,177;engl.Ausg.S.177,179

 Customs

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

 Synonyms

2.4.6-Trichlor-1-isocyanato-benzol
Isocyanic Acid 2,4,6-Trichlorophenyl Ester
2,4,6-trichlorophenylisocyanate
MFCD00013845
2,4,6-Trichlorophenyl Isocyanate
2,4,6-Trichlor-phenylisocyanat
2,4,6-trichlorobenzenisocyanate
2,3-DIHYDROBENZO
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