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Home> Encyclopedia > Hot Product Listed 4   > 4-Chloro-3-nitrobenzoic acid
96-99-1 structure

4-Chloro-3-nitrobenzoic acid

CAS No.:96-99-1
EINECS(EC#): 202-550-9
Molecular Weight:201.562
Molecular Formula:C7H4ClNO4 (isomer)
Properties
Appearance
white to light yellow crystal powder
Density
1.64
Melting Point
181-183℃
Boiling Point
371.6 oC at 760 mmHg
Flash Point
178.5 oC
Solubility
AUTOIGNITION
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29163900
Storage temp
Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S24/25
Safety

Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl?.
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-24/25-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS of 4-Chloro-3-nitrobenzoic acid (CAS NO.96-99-1): DG5425050

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg) ? Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LD50 oral 3150mg/kg (3150mg/kg) ? "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 577, 1986.

Specification

? 4-Chloro-3-nitrobenzoic acid (CAS NO.96-99-1), its Synonyms are 3-Nitro-4-chlorobenzoic acid ; Kyselina 4-chloro-3-nitrobenzoova ; Benzoic acid, 4-chloro-3-nitro- . It is white to light yellow crystal powder.

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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:201.562g/mol
  • Molecular Formula:C7H4ClNO4
  • Compound Is Canonicalized:False
  • XLogP3-AA:1.8
  • Exact Mass:200.983
  • Monoisotopic Mass:200.983
  • Complexity:227
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.1A^2
  • Heavy Atom Count:13
  • 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: AAADcYBiOAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIECAAADAqBmCAwyIAQQgCJ AiTSSwCCAAAkBwAoiAEAbsoIJjKBl5GAcQBkwAEI2Ye8yCCOBAAAQAAAABAIAACAAAAAIAAAAAAA AA==
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  • Fax:86-571-86821328
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  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
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  • Tel:86-188-74586545
  • Fax:86-27-83214668
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  • Tel:86-27-87465837
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