| Identification | More | [Name]
4-Chlorophenyl isocyanate | [CAS]
104-12-1 | [Synonyms]
4-CHLOROPHENYL ISOCYANATE
4-ISOCYANATO CHLOROBENZENE
ISOCYANIC ACID 4-CHLOROPHENYL ESTER
PARA CHLOROPHENYL ISOCYANATE
P-CHLOROPHENYL ISOCYANATE
1-chloro-4-isocyanato-benzen
1-Chloro-4-isocyanatobenzene
1-Chloro-4-isocyanato-benzene
4-chloroisocyanatobenzene
4-Chloro-iso-cyanatobenzene
4-Chlorphenylisocyanate
benzene,1-chloro-4-isocyanato
benzene,1-chloro-4-isocyanato-
chlorophenylisocyanate
chlorophenylisocyanate(non-specificname)
isoacyanicacid,p-chlorophenylester
Isocyanic acid, p-chlorophenyl ester
isocyanicacid,p-chlorophenylester
p-Chlorfenylisokyanat
p-chlorfenylisokyanat(czech) | [EINECS(EC#)]
203-176-9 | [Molecular Formula]
C7H4ClNO | [MDL Number]
MFCD00002024 | [Molecular Weight]
153.57 | [MOL File]
104-12-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to yellow crystalline solid | [Melting point ]
26-29 °C (lit.) | [Boiling point ]
203-204 °C (lit.) | [density ]
1.2 g/mL at 25 °C(lit.)
| [vapor pressure ]
30Pa at 20℃ | [refractive index ]
n20/D 1.5618(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
2-8°C
| [solubility ]
Chloroform (Slightly) | [form ]
Crystalline Solid | [color ]
White to yellow | [Odor]
sharp irritating odor | [Water Solubility ]
DECOMPOSES | [Sensitive ]
Moisture Sensitive/Lachrymatory | [BRN ]
386235 | [LogP]
3.12 at 22℃ | [CAS DataBase Reference]
104-12-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-chloro-4-isocyanato-(104-12-1) | [EPA Substance Registry System]
104-12-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T+,T,C | [Risk Statements ]
R25:Toxic if swallowed.
R26:Very Toxic by inhalation.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R42:May cause sensitization by inhalation.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S37/39:Wear suitable gloves and eye/face protection .
S22:Do not breathe dust . | [RIDADR ]
UN 2811 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
NQ8575000
| [F ]
10-19-21 | [Hazard Note ]
Toxic/Corrosive/Lachrymatory/Moisture Sensitive | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29291090 | [Safety Profile]
Poison by ingestion and
inhalation. Unspecified human systemic
effects. A severe eye and moderate skin
irritant. A flammable liquid when exposed to
heat or flame. Dangerous, can explode on
distillation. When heated to decomposition
it emits toxic fumes of Cl-, CN-, and NOx. | [Hazardous Substances Data]
104-12-1(Hazardous Substances Data) | [Toxicity]
mammal (species unspecified),LC50,inhalation,53mg/m3 (53mg/m3),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 11(4), Pg. 23, 1967. |
| Hazard Information | Back Directory | [General Description]
Colorless to yellow liquid or crystals. Used as an intermediate in pesticide and pharmaceutical manufacture. | [Reactivity Profile]
Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)]. | [Chemical Properties]
white to yellow crystalline solid | [Uses]
4-Chlorophenyl isocyanate is used in the preparation of isothiocyanates. Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ?-lactams in high yield. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 34, p. 3200, 1969 DOI: 10.1021/jo01262a089 | [Purification Methods]
Purify the isocyanate by recrystallisation from pet ether (b 30-40o) or better by fractional distillation. TOXIC irritant. [Beilstein 12 H 616, 12 III 1376, 12 IV 1213.] |
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