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2-Chloroacetophenone (CAS No.532-27-4) was reported in EPA TSCA Inventory. Community Right-To-Know List.
OSHA PEL: TWA 0.05 ppm
ACGIH TLV: TWA 0.05 ppm; Not Classifiable as a Human Carcinogen
DOT Classification: 6.1; Label: Poison
The 2-Chloroacetophenone with CAS registry number of 532-27-4 is also known as 1-Phenyl-2-chloro-1-ethanone. The IUPAC name is 2-Chloro-1-phenylethanone. It belongs to product categories of Acetylhalide. Its EINECS registry number is 208-531-1. In addition, the formula is C8H7ClO and the molecular weight is 154.59. This chemical is a white or light yellow crystal and should be stored in cool, dry and ventilated away from fire and heat.
Physical properties about 2-Chloroacetophenone are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 14.93; (5)ACD/BCF (pH 7.4): 14.93; (6)ACD/KOC (pH 5.5): 240.95; (7)ACD/KOC (pH 7.4): 240.95; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 41.12 cm3; (13)Molar Volume: 132.3 cm3; (14)Surface Tension: 39 dyne/cm; (15)Density: 1.168 g/cm3; (16)Flash Point: 104.8 °C; (17)Enthalpy of Vaporization: 48.16 kJ/mol; (18)Boiling Point: 244.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0303 mmHg at 25 °C.
Preparation of 2-Chloroacetophenone: it can be synthesized by the friedel-crafts acylation of benzene and chloroacetyl chloride with an aluminium chloride catalyst.
Uses of 2-Chloroacetophenone: it is used as pharmaceutical intermediate and for organic synthesis. What's more, it is used to produce 2-chloromethyl-2-phenyl-[1,3]dioxolane by reaction with ethane-1,2-diol. The reaction needs reagent chlorotrimethylsilane at ambient temperature for 16 hours and the yield is about 99%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is toxic by inhalation, in contact with skin and if swallowed that may cause sensitisation. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep container tightly closed and in a well-ventilated place and do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)C(=O)CCl
2. InChI: InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
3. InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LCLo | inhalation | 490mg/m3/30M (490mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BLOOD: HEMORRHAGE | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
guinea pig | LD50 | intraperitoneal | 17mg/kg (17mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
guinea pig | LD50 | oral | 158mg/kg (158mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | National Technical Information Service. Vol. OTS0556684, | |
human | LCLo | inhalation | 159mg/m3/20M (159mg/m3) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 163, 1969. | |
human | TCLo | inhalation | 20mg/m3 (20mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: COUGH | British Journal of Industrial Medicine. Vol. 29, Pg. 298, 1972. |
human | TCLo | inhalation | 93mg/m3/3M (93mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | American Industrial Hygiene Association Journal. Vol. 23, Pg. 199, 1962. |
mouse | LC50 | inhalation | 59mg/m3 (59mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993. | |
mouse | LD50 | intraperitoneal | 60mg/kg (60mg/kg) | National Technical Information Service. Vol. AD837-111, | |
mouse | LD50 | intravenous | 81mg/kg (81mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
mouse | LD50 | oral | 139mg/kg (139mg/kg) | National Technical Information Service. Vol. AD837-111, | |
rabbit | LCLo | inhalation | 465mg/m3/20M (465mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
rabbit | LD50 | intravenous | 30mg/kg (30mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
rabbit | LD50 | oral | 118mg/kg (118mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
rat | LCLo | inhalation | 417mg/m3/15M (417mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BLOOD: HEMORRHAGE | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
rat | LD50 | intraperitoneal | 36mg/kg (36mg/kg) | BEHAVIORAL: COMA SKIN AND APPENDAGES (SKIN): HAIR: OTHER LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
rat | LD50 | intravenous | 41mg/kg (41mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Archives of Toxicology. Vol. 40, Pg. 75, 1978. |
rat | LD50 | oral | 50mg/kg (50mg/kg) | Toxicology and Applied Pharmacology. Vol. 17, Pg. 295, 1970. |