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Substance Name: Bischloromethyl ketone
RN: 534-07-6
UNII: UFH8559WS5
InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula
- C3-H4-Cl2-O
Molecular Weight
- 126.97
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Mutation Data
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Code
- Threshold Planning Quantity (TPQ) = 10/10000 lb
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Names and Synonyms
Name of Substance
- 1,3-Dichloroacetone
- Bischloromethyl ketone
Synonyms
- 1,3-Dichloro-2-propanone
- 1,3-Dichloroacetona
- 1,3-Dichloroacetona [Spanish]
- 1,3-Dichloroacetone
- 1,3-Dichloropropanone
- 2-Propanone, 1,3-dichloro-
- 4-01-00-03219 (Beilstein Handbook Reference)
- Acetone, 1,3-dichloro
- Bis(chloromethyl) ketone
- Bis(chloromethyl)ketone
- BRN 0605456
- CCRIS 1942
- Dichloro-1,3 acetone
- Dichloro-1,3 acetone [French]
- EINECS 208-585-6
- HSDB 6391
- NSC 8745
- s-Dichloroacetone
- sym-Dichloroacetone
- UNII-UFH8559WS5
Systematic Names
- 1,3-Dichloroacetone
- 1,3-Dichloropropanone
- 2-Propanone, 1,3-dichloro-
Superlist Names
- 1,3-Dichloroacetone
- 1,3-Dichloroacetone [UN2649] [Poison]
- Bis(chloromethyl) ketone
- UN2649
Registry Numbers
CAS Registry Number
- 534-07-6
FDA UNII
- UFH8559WS5
System Generated Number
- 0000534076
Structure Descriptors
InChI
1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2InChIKey
SUNMBRGCANLOEG-UHFFFAOYSA-NSmiles
C(CCl)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 27mg/m3/2H (27mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982. | |
| mouse | LD50 | oral | 18900ug/kg (18.9mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0555373, |
| rabbit | LD50 | skin | 53mg/kg (53mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE | National Technical Information Service. Vol. OTS0555373, |
| rat | LC50 | inhalation | 29mg/m3/2H (29mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982. | |
| rat | LD50 | oral | 20mg/kg (20mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0555373, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 45 | deg C | EXP | |
| Boiling Point | 173.4 | deg C | EXP | |
| log P (octanol-water) | 0.270 | (none) | EST | |
| Water Solubility | 5.52E+04 | mg/L | 25 | EST |
| Henry's Law Constant | 6.15E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.32E-13 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.