p-Chlorophenyl isocyanate

Names

[ CAS No. ]:
104-12-1

[ Name ]:
p-Chlorophenyl isocyanate

[Synonym ]:
4-Chlorophenyl isocyanate
Isocyanic Acid 4-Chlorophenyl Ester
Benzene, 1-chloro-4-isocyanato-
p-Chlorophenyl isocyanate
1-Chloro-4-isocyanatobenzene
EINECS 203-176-9
MFCD00002024

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
204.2±13.0 °C at 760 mmHg

[ Melting Point ]:
26-29 °C(lit.)

[ Molecular Formula ]:
C₇H₄ClNO

[ Molecular Weight ]:
153.566

[ Flash Point ]:
76.0±9.1 °C

[ Exact Mass ]:
152.998138

[ PSA ]:
29.43000

[ LogP ]:
3.42

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.551

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
DECOMPOSES

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ8575000

CHEMICAL NAME :: Isocyanic acid, p-chlorophenyl ester

CAS REGISTRY NUMBER :: 104-12-1

LAST UPDATED :: 199807

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C7-H4-Cl-N-O

MOLECULAR WEIGHT :: 153.57

WISWESSER LINE NOTATION :: OCNR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,931,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528437 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 800 ug/m3/1M

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - other changes

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(7-9),481,1966

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 138 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - gastritis

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528437

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 113 mg/m3/4H

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555462

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1 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: OTS0538092

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 62500 ug/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 :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 450 mg/kg

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

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,38,1982

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 53 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 31(9),108,1966

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528442

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 53 mg/m3

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

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 11(4),23,1967 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 9500 mg/kg/2W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes primarily in glomeruli Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528442

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 ug/m3/24H/80D-C

TOXIC EFFECTS :: Liver - other changes Kidney, Ureter, Bladder - other changes in urine composition Endocrine - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(10),103,1967

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 ug/m3/24H/11W-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Metabolism (Intermediary) - other proteins

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(7),3,1967

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1400 ug/m3/4H/17W-I

TOXIC EFFECTS :: Endocrine - changes in spleen weight Endocrine - changes in thyroid weight

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 31(9),108,1966 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3;Skin JAN 1993

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H318-H330-H334-H335-H410

[ Precautionary Statements ]:
P260-P273-P280-P284-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R25;R26;R37/38;R41;R42;R52/53

[ Safety Phrases ]:
S23-S26-S28-S36/37/39-S45-S61-S38-S37/39-S28A-S22

[ RIDADR ]:
UN 2811 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
NQ8575000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Triphosgene
4-Chloroaniline
(4-CHLOROPHENYL)(DIMETHOXYPHOSPHINYL)METHYLPHOSPHORICACIDDIMETHYLESTER
4-chlorobenzoyl azide
Benzamide, 4-chloro-N-hydroxy-
4-Chlorobenzoic acid
carbon monoxide
4-Chloronitrobenzene
methyl 2-(4-chloroanilino)-2-oxoacetate
N-(4-Chlorophenyl)carbamic acid methyl ester

DownStream

1-(2H-1,4-benzothiazin-3-yl)-3-(4-chlorophenyl)urea
(3Z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Sulofenur
3-(4-chlorophenyl)-5-methyl-1,3-oxazolidin-2-one
3-(4-chlorophenyl)-4-methyloxazolidin-2-one
N-(4-Chlorophenyl)-4-fluorobenzamide
methyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
N-(4-chlorophenyl)-4-nitroaniline
1-chloro-4-isocyanobenzene
Diflubenzuron

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

A Convenient synthesis of isothiocyanates from primary nitroalkanes.

Synth. Commun. 24(8) , 1101-1105, (1994)

(p-chlorophenyl)phenyliodonium bromide
p-chlorophenyl vinyl sulfide
(p-Chlorophenyl)sulfenyl methyl thiocarbonate
(p-Chlorophenyl)-acetonyl-dimethylsilane
p-chlorophenyl di(methylthio)methyl ketone
p-chlorophenyl propanedithioate