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Home> Encyclopedia > Hot Product Listed 4   > 4-Chlorobenzonitrile
623-03-0 structure

4-Chlorobenzonitrile

Iupac Name:4-chlorobenzonitrile
CAS No.:623-03-0
EINECS(EC#): 210-765-4
Molecular Weight:137.566
Molecular Formula:C7H4ClN (isomer)
Properties
Appearance
slightly blue crystalline powder and chunks
Density
1.11
Melting Point
91-94℃
Boiling Point
223℃
Refractive Index
1.6088 (17 C)
Flash Point
108℃
Solubility
Insoluble (soluble in alcohol and ether)
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29269095
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/22;R36/37/38
Safety Statements
S23;S26;S36
HazardClass
6.1(b)
Safety

Hazard Codes:?HarmfulXn
Risk Statements: 20/22-36/37/38?
R20/22:Harmful by inhalation and if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-26-36?
S23:Do not breathe vapour.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S8:Keep container dry.
RIDADR: 3439
WGK Germany: 2
RTECS: DI2800000
Hazard Note: Harmful
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29269095
Poison by intraperitoneal route. Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx, Cl?, and CN?. See also NITRILES.

Toxicity
1. ???

eye-rbt 100?mg/24H MOD

??? 28ZPAK ?? Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.:?1972,161.
2. ???

orl-mus LD50:>300?mg/kg

??? JMCMAR ?? Journal of Medicinal Chemistry. 21 (1978),906.
3. ???

ipr-mus LD50:150?mg/kg

??? NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .
PackingGroup
III
Transport
200kgs
Specification

?4-Chlorobenzonitrile (CAS NO.623-03-0) is also named as AI3-00492 ; NSC 6111 ; Nitril kyseliny p-chlorbenzoove ; Nitril kyseliny p-chlorbenzoove [Czech] ; p-Chlorobenzonitrile ; p-Cyanochlorobenzene ; Benzonitrile, 4-chloro- ; Benzonitrile, p-chloro- .?4-Chlorobenzonitrile (CAS NO.623-03-0) is slightly blue crystalline powder and chunks. It is highly toxic. It is flammable by heat. It will produce toxic nitrogen oxide, cyanide and chloride smoke when buring. So the storage environment should be ventilate, low-temperature and dry. Keep?4-Chlorobenzonitrile separate from?acids, oxidants and raw materials of food.

Report

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:137.566g/mol
  • Molecular Formula:C7H4ClN
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:137.003
  • Monoisotopic Mass:137.003
  • Complexity:127
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:23.8A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIAAAAADAKBGCAwAIAAAACQ BiBCAAAiAAAgBQAIiAAAAogIoCKBExCAIAAggAAIiA8AgAAOBAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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  • Fax:86-571-88938652
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  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
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  • Tel:86-371-86658258
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