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Substance Name: 1-Chloro-2,4-dinitrobenzene
RN: 97-00-7
UNII: GE3IBT7BMN
InChIKey: VYZAHLCBVHPDDF-UHFFFAOYSA-N
Note
- A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.
Molecular Formula
- C6-H3-Cl-N2-O4
Molecular Weight
- 202.553
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- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Contact Allergen
- Drug / Therapeutic Agent
- Immunomodulator
- Indicators and Reagents
- Irritants
- Mutation Data
- Noxae
- Riot Control Agents, Chemical
- Skin / Eye Irritant
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Names and Synonyms
Name of Substance
- 1-Chloro-2,4-dinitrobenzene
- Dinitrochlorobenzene
MeSH Heading
- Dinitrochlorobenzene
Synonyms
- 1,3-Dinitro-4-chlorobenzene
- 1-Chloor-2,4-dinitrobenzeen
- 1-Chloor-2,4-dinitrobenzeen [Dutch]
- 1-Chlor-2,4-dinitrobenzene
- 1-Chlor-2,4-dinitrobenzol
- 1-Chloro-2,4-dinitrobenzeen
- 1-Chloro-2,4-dinitrobenzeen [Dutch]
- 1-Chloro-2,4-dinitrobenzene
- 1-Chloro-2,4-dinitrobenzol
- 1-Chloro-2,4-dinitrobenzol [German]
- 1-Cloro-2,4-dinitrobenzene
- 1-Cloro-2,4-dinitrobenzene [Italian]
- 2,4-Dinitro-1-chlorobenzene
- 2,4-Dinitrochlorobenzene
- 2,4-Dinitrophenyl chloride
- 4-Chloro-1,3-dinitrobenzene
- 6-Chloro-1,3-dinitrobenzene
- AI3-01053
- Benzene, 1-chloro-2,4-dinitro-
- Caswell No. 389C
- CCRIS 1799
- CDNB
- Chlorodinitrobenzene
- Dinitrochlorobenzene
- Dinitrochlorobenzene (VAN)
- Dinitrochlorobenzol
- DNCB
- EC 202-551-4
- EINECS 202-551-4
- EPA Pesticide Chemical Code 055102
- HSDB 5306
- NSC 6292
- UNII-GE3IBT7BMN
Systematic Names
- 1-Chloro-2,4-dinitrobenzene
- Benzene, 1-chloro-2,4-dinitro-
Superlist Names
- 1-Chloro-2,4-dinitrobenzene
- Benzene, 1-chloro-2,4-dinitro-
Registry Numbers
CAS Registry Number
- 97-00-7
FDA UNII
- GE3IBT7BMN
System Generated Number
- 0000097007
Structure Descriptors
InChI
1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3HInChIKey
VYZAHLCBVHPDDF-UHFFFAOYSA-NSmiles
c1(cc(ccc1Cl)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 130mg/kg (130mg/kg) | SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
| rat | LD50 | intraperitoneal | 280mg/kg (280mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: PERITONITIS BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959. |
| rat | LD50 | oral | 640mg/kg (640mg/kg) | BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 53 | deg C | EXP | |
| Boiling Point | 315 | deg C | EXP | |
| log P (octanol-water) | 2.17 | (none) | EXP | |
| Water Solubility | 8 | mg/L | 15 | EXP |
| Henry's Law Constant | 2.82E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.17E-14 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.