CAS No.618461-78-2,(R)-(+)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	618461-78-2
Name:	(R)-(+)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE
Article Data:	2

Formula:	C₉H₈BrNO
Molecular Weight:	226.073
Synonyms:	(R)-(+)-1-(4-BROMOPHENYL)ETHYL ISOCYANATE;(R)-(+)-(4-BROMOPHENYL)ETHYL ISOCYANATE;(R)-1-Bromo-4-(1-isocyanatoethyl)benzene
EINECS:	-0
Density:	1.4±0.1 g/cm³
Melting Point:	30-32°C
Boiling Point:	276.3±23.0 °C at 760 mmHg
Flash Point:	120.9±22.6 °C
Risk Codes:	20/22-36/37/38
Safety:	23-26-36/37/39
PSA:	29.43000
LogP:	2.84590

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Specification

The (R)-1-Bromo-4-(1-isocyanatoethyl)benzene, with the CAS registry number 618461-78-2, is also known as Benzene, 1-bromo-4-[(1R)-1-isocyanatoethyl]-. This chemical's molecular formula is C₉H₈BrNO and molecular weight is 226.07. What's more, its systematic name is 1-Bromo-4-[(1R)-1-isocyanatoethyl]benzene. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and fire.

Physical properties of (R)-1-Bromo-4-(1-isocyanatoethyl)benzene are: (1)ACD/LogP: 3.73±0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 399.42; (6)ACD/BCF (pH 7.4): 399.42; (7)ACD/KOC (pH 5.5): 2533.43; (8)ACD/KOC (pH 7.4): 2533.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.43 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 52.7±0.5 cm³; (15)Molar Volume: 162.5±7.0 cm³; (16)Polarizability: 20.9±0.5×10^-24cm³; (17)Surface Tension: 39.9±7.0 dyne/cm; (18)Density: 1.4±0.1 g/cm³; (19)Flash Point: 120.9±22.6 °C; (20)Enthalpy of Vaporization: 51.5±3.0 kJ/mol; (21)Boiling Point: 276.3±23.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.6 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](C1=CC=C(C=C1)Br)N=C=O
(2)Std. InChI: InChI=1S/C9H8BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
(3)Std. InChIKey: AKVAGWOVWQDTAF-SSDOTTSWSA-N