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1-Bromo-3-chloropropane
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Name

1-Bromo-3-chloropropane

 EINECS 203-697-1
CAS No. 109-70-6 Density 1.534 g/cm3
PSA 0.00000 LogP 2.01020
Solubility insoluble in water Melting Point -59 °C
Formula C3H6BrCl Boiling Point 136.4 °C at 760 mmHg
Molecular Weight 157.438 Flash Point 38 °C
Transport Information N/A Appearance clear liquid
Safety 16-45-36/37/39-26 Risk Codes 10-22-36/37/38-20/21/22
Molecular Structure Molecular Structure of 109-70-6 (1-Bromo-3-chloropropane) Hazard Symbols HarmfulXn
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;

Article Data 32

1-Bromo-3-chloropropane Synthetic route

107-05-1

3-chloroprop-1-ene

109-70-6

1,3-chlorobromopropane

Conditions
ConditionsYield
With hydrogen bromide; dibenzoyl peroxide In benzene at 20℃; for 6h;92%
With hydrogen bromide
With hydrogen bromide
632-02-0

3-chloropropyl p-toluenesulfonate

60-29-7

diethyl ether

ethylmagnesium bromide

A

543-59-9

1-Chloropentane

B

109-70-6

1,3-chlorobromopropane

632-02-0

3-chloropropyl p-toluenesulfonate

60-29-7

diethyl ether

phenylmagnesium bromide

109-70-6

1,3-chlorobromopropane

632-02-0

3-chloropropyl p-toluenesulfonate

60-29-7

diethyl ether

heptyl magnesium (1+); bromide

A

1002-69-3

decyl chloride

B

109-70-6

1,3-chlorobromopropane

106-94-5

propyl bromide

109-70-6

1,3-chlorobromopropane

Conditions
ConditionsYield
With sulfuryl dichloride; dibenzoyl peroxide
With sulfuryl dichloride; dilauryl peroxide
With sulfuryl dichloride; dilauryl peroxide
With sulfuryl dichloride; dibenzoyl peroxide
With chlorine at 25 - 180℃;
142-28-9

1,3-Dichloropropane

109-70-6

1,3-chlorobromopropane

Conditions
ConditionsYield
With ethyl bromide; aluminum tri-bromide at 2 - 5℃;
142-28-9

1,3-Dichloropropane

A

109-70-6

1,3-chlorobromopropane

B

109-64-8

1,3-dibromo-propane

Conditions
ConditionsYield
With ethyl bromide; aluminum tri-bromide at 2 - 5℃;
107-05-1

3-chloroprop-1-ene

A

3017-95-6, 127054-44-8, 130232-86-9

2-bromo-1-chloropropane

B

109-70-6

1,3-chlorobromopropane

Conditions
ConditionsYield
With hydrogen bromide
With hydrogen bromide
With hydrogen bromide
627-30-5

1-chloro-3-hydroxypropane

109-70-6

1,3-chlorobromopropane

Conditions
ConditionsYield
With sulfuric acid; hydrogen bromide dann Destillieren;
With phosphorus tribromide
With phosphorus tribromide
10035-10-6, 12258-64-9

hydrogen bromide

7726-95-6

bromine

107-05-1

3-chloroprop-1-ene

109-70-6

1,3-chlorobromopropane

Conditions
ConditionsYield
in Gegenwart von Feuchtigkeit;

1-Bromo-3-chloropropane Consensus Reports

Reported in EPA TSCA Inventory.

1-Bromo-3-chloropropane Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

1-Bromo-3-chloropropane Specification

1. Introduction of 1-Bromo-3-chloropropane
1-Bromo-3-chloropropane, with the CAS registry number of 109-70-6, 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. 1-Bromo-3-chloropropane is used for organic synthesis and pharmaceutical industry and it is also used as a pharmaceutical intermediate.

2. Properties of 1-Bromo-3-chloropropane
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.

3. Structure Descriptors of 1-Bromo-3-chloropropane
(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

4. Toxicity of 1-Bromo-3-chloropropane

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.

5. Preparation of 1-Bromo-3-chloropropane
1-Bromo-3-chloropropane can be prepared by α-allyl chloride and hydrogen bromide.

6.Uses of 1-Bromo-3-chloropropane
1-Bromo-3-chloropropane can be used to produce (3-chloro-propoxy)-benzene. It will need reagent methanol. The yield is about 90%.
 

7. Other details of 1-Bromo-3-chloropropane
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).

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