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1111-88-2

Basic Information
CAS No.: 1111-88-2
Name: BROMOMETHANE-D3
Article Data: 16
Molecular Structure:
Molecular Structure of 1111-88-2 (BROMOMETHANE-D3)
Formula: CBrD3
Molecular Weight: 97.915
Synonyms: Perdeuteriomethyl bromide;Perdeuterobromoform;Bromomethane-d3;Bromotrideuteromethane;Methyl-d3 bromide;
EINECS: 214-186-8
Density: 1.682 g/cm3
Melting Point: -94 °C (lit.)
Boiling Point: 3.836 °C at 760 mmHg
Flash Point: -34.699 °C
Hazard Symbols: ToxicT, DangerousN
Risk Codes: 23/25-36/37/38-48/20-50-59-68
Safety: 15-27-36/39-38-45-59-61
Transport Information: UN 1062
PSA: 0.00000
LogP: 1.01110
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Specification

The Methane-d3, bromo-, with the CAS registry number 1111-88-2, is also known as Bromomethane-d3. Its EINECS registry number is 214-186-8. This chemical's molecular formula is CBrD3 and molecular weight is 97.96. What's more, its systematic name is Bromo(2H3)methane. In addition, it must be stored in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light.

Physical properties about Methane-d3, bromo- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 100; (8)ACD/KOC (pH 7.4): 100; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 14.414 cm3; (15)Molar Volume: 58.224 cm3; (16)Polarizability: 5.714×10-24 cm3; (17)Surface Tension: 20.624 dyne/cm; (18)Density: 1.682 g/cm3; (19)Flash Point: -34.699 °C; (20)Enthalpy of Vaporization: 23.91 kJ/mol; (21)Boiling Point: 3.836 °C at 760 mmHg; (22)Vapour Pressure: 1589.534 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical toxic by inhalation and if swallowed. Besides, it is very toxic to aquatic organisms and dangerous for the ozone layer. During using it, wear suitable protective clothing 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: BrC([2H])([2H])[2H]
(2) InChI: InChI=1/CH3Br/c1-2/h1H3/i1D3
(3) InChIKey: GZUXJHMPEANEGY-FIBGUPNXES