Basic information
- Name:
1-Bromo-3-chloropropane
- CAS No.:
109-70-6
- Molecular Structure:
- Formula:
- C3H6BrCl
- Molecular Weight:
- 157.44 .
- Synonyms:
- 1-bromo-3-chloro-propane;Propane,1-bromo-3-chloro-;1,3-Chbp;.omega.-Chlorobromopropane;1-Chloro-3-bromopropane;Trimethylene bromide chloride;1,3-Chlorbromopropane;1-Bromo-3-chloropropane [UN2688] [Poison];Trimethylene chlorobromide;l-Chloro-3-bromopropane;3-Bromo-1-chloropropane;3-Chloropropyl bromide;Propane, 1-bromo-3-chloro-;omega-Chlorobromopropane;3-Bromopropyl chloride;3-Chloro-1-bromopropane;1-Bromo-3-Chloropropane / BCP;1-Bromo-3-Chloropane;
- EINECS:
- 203-697-1
- Density:
- 1.534 g/cm3
- Melting Point:
- -59 °C
- Boiling Point:
- 136.4 °C at 760 mmHg
- Flash Point:
- 38 °C
- Solubility:
- insoluble in water
- Appearance:
- clear liquid
- Hazard Symbols:
Xn- Risk Codes:
- 10-22-36/37/38-20/21/22
- Safety Description:
- 16-45-36/37/39-26 Details
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Specification
The 1-Bromo-3-chloropropane is an organic compound with the formula C3H6BrCl. The IUPAC name of this chemical is 1-bromo-3-chloropropane. With the CAS registry number 109-70-6, it is also named as 1,3-Chlorbromopropane. The product's categories are Organics; Bromo Chloro; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Omega-Haloalkyl Chlorides. Besides, it should be stored in a cool and well-ventilated place. It is used for organic synthesis and pharmaceutical industry and it is also used as a pharmaceutical intermediate.
Physical properties about 1-Bromo-3-chloropropane are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 26.67; (5)ACD/BCF (pH 7.4): 26.67; (6)ACD/KOC (pH 5.5): 365.08; (7)ACD/KOC (pH 7.4): 365.08; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.468; (10)Molar Refractivity: 28.52 cm3; (11)Molar Volume: 102.6 cm3; (12)Polarizability: 11.3×10-24cm3; (13)Surface Tension: 30.9 dyne/cm; (14)Density: 1.534 g/cm3; (15)Flash Point: 38 °C; (16)Enthalpy of Vaporization: 35.84 kJ/mol; (17)Boiling Point: 136.4 °C at 760 mmHg; (18)Vapour Pressure: 9.15 mmHg at 25°C.
Preparation: this chemical can be prepared by α-allyl chloride and hydrogen bromide.
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Uses of 1-Bromo-3-chloropropane: it can be used to produce (3-chloro-propoxy)-benzene. It will need reagent methanol. The yield is about 90%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCl
(2)InChI: InChI=1/C3H6BrCl/c4-2-1-3-5/h1-3H2
(3)InChIKey: MFESCIUQSIBMSM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
(5)Std. InChIKey: MFESCIUQSIBMSM-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LCLo | inhalation | 7270mg/m3/2H (7270mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982. | |
| mouse | LD50 | oral | 1290mg/kg (1290mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982. | |
| rat | LC50 | inhalation | 5668mg/m3 (5668mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(9), Pg. 36, 1975. | |
| rat | LD50 | oral | 930mg/kg (930mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 12, Pg. 93, 1971. |
