CAS No.76334-36-6,3-Bromo-3-buten-1-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76334-36-6
Name:	3-Bromo-3-buten-1-ol
Article Data:	21

Formula:	C₄H₇BrO
Molecular Weight:	151.003
Synonyms:	3-Bromo-3-buten-1-ol;
Density:	1.507 g/cm³
Boiling Point:	172.8 °C at 760 mmHg
Flash Point:	58.3 °C
Appearance:	Clear brown liquid
Hazard Symbols:	Xn
Risk Codes:	22-41-43
Safety:	26-36/37/39
PSA:	20.23000
LogP:	1.27740

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Specification

The IUPAC name of 3-Bromo-3-buten-1-ol is 3-bromobut-3-en-1-ol. With the CAS registry number 76334-36-6, it is also named as 3-Buten-1-ol, 3-bromo-. The product's categories are Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. It is clear brown liquid, which should be stored in closed, cool and dry place. In addition, its molecular formula is C₄H₇BrO and its molecular weight is 151.00.

The other characteristics of 3-Bromo-3-buten-1-ol can be summarized as: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.93; (6)ACD/BCF (pH 7.4): 6.93; (7)ACD/KOC (pH 5.5): 139.06; (8)ACD/KOC (pH 7.4): 139.06; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 29.41 cm³; (15)Molar Volume: 100.1 cm³; (16)Polarizability: 11.66×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.507 g/cm³; (19)Flash Point: 58.3 °C; (20)Enthalpy of Vaporization: 47.63 kJ/mol; (21)Boiling Point: 172.8 °C at 760 mmHg; (22)Vapour Pressure: 0.412 mmHg at 25 °C.

Preparation of this product: this chemical can be prepared by 4-Bromo-pent-4-enoic acid ethyl ester.

This reaction needs LiAlH₄ and Diethyl ether. The yield is 74 %.

Uses of this product: it can react with Acryloyl chloride to get 3-Bromo-3-butenyl acrylate.

This reaction will occur at ambient temperature for 1 hour. The yield is 20 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed and risk of serious damage to the eyes. It also may cause sensitization by skin contact. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Br/C(=C)CCO
(2)InChI: InChI=1/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
(3)InChIKey: RTKMFQOHBDVEBC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
(5)Std. InChIKey: RTKMFQOHBDVEBC-UHFFFAOYSA-N