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Substance Name: 1-Chloro-4-(trifluoromethyl)benzene
RN: 98-56-6
UNII: 694YO34JHC
InChIKey: QULYNCCPRWKEMF-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Tumor Data
Molecular Formula
- C7-H4-Cl-F3
Molecular Weight
- 180.556
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1-Chloro-4-(trifluoromethyl)benzene
- 4-Chloro-alpha,alpha,alpha-trifluorotoluene
Synonyms
- (p-Chlorophenyl)trifluoromethane
- 1-(Trifluoromethyl)-4-chlorobenzene
- 1-Chloro-4-(trifluoromethyl)benzene
- 4-05-00-00815 (Beilstein Handbook Reference)
- 4-Chloro-alpha,alpha,alpha-trifluorotoluene
- 4-Chlorobenzotrifluoride
- alpha,alpha,alpha-Trifluoro-4-chlorotoluene
- Benzene, 1-chloro-4-(trifluoromethyl)-
- BRN 0510203
- CCRIS 720
- EC 202-681-1
- EINECS 202-681-1
- HSDB 4251
- NSC 10309
- p-(Trifluoromethyl)chlorobenzene
- p-Chloro-alpha,alpha,alpha-trifluorotoluene
- p-Chlorobenzotrifluoride
- p-Chlorotrifluoromethylbenzene
- p-Trifluoromethylphenyl chloride
- para-Chloro-alpha,alpha,alpha-trifluorotoluene
- para-Chlorobenzotrifluoride
- para-Chlorotrifluoromethylbenzene
- Toluene, p-chloro-alpha,alpha,alpha-trifluoro-
- UNII-694YO34JHC
Systematic Names
- 4-Chloro-alpha,alpha,alpha-trifluorotoluene
- Benzene, 1-chloro-4-(trifluoromethyl)-
- p-Chloro-alpha,alpha,alpha-trifluorotoluene
- Toluene, p-chloro-alpha,alpha,alpha-trifluoro-
Superlist Names
- Benzene, 1-chloro-4-(trifluoromethyl)-
- p-Chloro-alpha,alpha,alpha-trifluorotoluene
- Toluene, p-chloro-alpha,alpha,alpha-trifluoro-
Registry Numbers
CAS Registry Number
- 98-56-6
FDA UNII
- 694YO34JHC
Other Registry Number
- 92709-16-5
System Generated Number
- 0000098566
Structure Descriptors
InChI
InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4HInChIKey
QULYNCCPRWKEMF-UHFFFAOYSA-NSmiles
FC(F)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 20gm/m3 (20000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984. | |
mouse | LD50 | oral | 11500mg/kg (11500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984. | |
rat | LC50 | inhalation | 22gm/m3 (22000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984. | |
rat | LD50 | oral | 13gm/kg (13000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -3.30E+01 | deg C | EXP | |
Boiling Point | 138.5 | deg C | EXP | |
log P (octanol-water) | 3.600 | (none) | EST | |
Water Solubility | 84.5 | mg/L | 25 | EST |
Vapor Pressure | 7.63 | mm Hg | 25 | EXP |
Henry's Law Constant | 0.035 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.40E-13 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.