3,4-Dichlorophenyl isocyanate

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Names

[ CAS No. ]:
102-36-3

[ Name ]:
3,4-Dichlorophenyl isocyanate

[Synonym ]:
3,4-DICHLOROPHENYLCARBIMIDE
Dichloroisocyanatobenzene
3,4-Dichlorphenylisocyanat
1,2-dichloro-4-isocyanato-benzene
3,4-DCPI
Isocyanic Acid 3,4-Dichlorophenyl Ester
Isocyanic acid 3,4-d
dcpi
3,4-Dichlorfenylisokyanat
DICHLOROPHENYL ISOCYANATES
1,2-Dichloro-4-isocyanatobenzene
3,4-Dichlorphenylisocyanate
MFCD00002017
Benzene, 1,2-dichloro-4-isocyanato-
EINECS 203-026-2
3,4-Dichlorophenyl isocyanate
Phenylisocyanate,dichloro

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
233.6±0.0 °C at 760 mmHg

[ Melting Point ]:
41-43 °C(lit.)

[ Molecular Formula ]:
C₇H₃Cl₂NO

[ Molecular Weight ]:
188.011

[ Flash Point ]:
106.1±12.4 °C

[ Exact Mass ]:
186.959167

[ PSA ]:
29.43000

[ LogP ]:
4.01

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.575

[ Water Solubility ]:
decomposes

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ8760000

CHEMICAL NAME :: Isocyanic acid, 3,4-dichlorophenyl ester

CAS REGISTRY NUMBER :: 102-36-3

BEILSTEIN REFERENCE NO. :: 0608325

LAST UPDATED :: 199801

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C7-H3-Cl2-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 91 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528439

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2700 mg/m3/4H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571316

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533572

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0538092

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 140 mg/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,931,1986 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.3 mg/m3;Skin JAN 1993

Safety Information

[ Symbol ]:

GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H317-H319-H332-H334-H335

[ Precautionary Statements ]:
P261-P280-P301 + P310-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R23;R36/37/38;R42

[ Safety Phrases ]:
S22-S26-S36/37/39-S45

[ RIDADR ]:
UN 2250 6.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
NQ8760000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29291090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Triphosgene
3,4-Dichloroaniline
3,4-dichlorobenzoyl azide
phosgene
(3,4-Dichlorophenyl)-carbamic acid ethyl ester
MCC
1,2-Dichloro-4-nitrobenzene
carbon monoxide
2,3-Dichlorobenzoyl
3,4-Dichlorobenzoic acid

DownStream

1-(2H-1,4-benzothiazin-3-yl)-3-(3,4-dichlorophenyl)urea
1-(3,4-DICHLOROPHENYL)-1H-PYRAZOL-3-AMINE
Diuron
Linuron
N-(3,4-dichlorophenyl)-2-oxopyrrolidine-1-carboxamide
3,4-Dichloroaniline
Benzene,1,2-dichloro-4-isothiocyanato-
(3,4-Dichlorophenyl)-carbamic acid ethyl ester
N-(3,4-Dichlorophenyl)-N'-(2-chlorophenyl)urea

Customs

[ HS Code ]: 2929109000

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

Articles

Carbonic anhydrase inhibitors-Part 49: Synthesis of substituted ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides with increased affinities for isozyme I. Supuran CT, et al.

Eur. J. Med. Chem. 33(2) , 83-93, (1998)

3,4-dichlorophenyl isocyanate
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
3,4-dichlorophenyl-α,β-dicyanoethyl propionate
(3,4-dichlorophenyl)-[2-(4-fluorophenyl)sulfonylcyclopropyl]methanone
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
(3,4-dichlorophenyl)methyl-triphenylphosphanium,bromide
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-N-methylcyclopropan-1-amine
5-Cyclopentyl-3-(propan-2-yl)-1,2-oxazole-4-carbaldehyde
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
(2R)-1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbut-2-enoyl]-2-methylpyrrolidine-2-carboxylic acid
2-(Dimethylamino)quinazoline-5-carboxylic acid
5-(1-chloro-2-methoxyethyl)-1-cyclobutyl-1H-1,2,3-triazole