4-Bromophenyl isothiocyanate

Catalog No: FT-0676242

CAS No: 1985-12-2

Chemical Name: 4-Bromophenyl isothiocyanate
Molecular Formula: C7H4BrNS
Molecular Weight: 214.08 g/mol
InChI Key: XQACWEBGSZBLRG-UHFFFAOYSA-N
InChI: InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	280.1±23.0 °C at 760 mmHg
CAS:	1985-12-2
MF:	C7H4BrNS
Melting_Point:	56-58 °C(lit.)
Symbol:	Danger
Density:	1.5±0.1 g/cm3
FW:	214.082
Product_Name:	4-bromophenyl isothiocyanate
Flash_Point:	123.2±22.6 °C

Bolling_Point:	280.1±23.0 °C at 760 mmHg
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
LogP:	4.03
More_Info:	['1 . Appearance 晶体 ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）56-60 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，5mmHg）144-145 ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）>110 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 可Water 解的']
Computational_Chemistry:	['1 . XlogP 4 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 124 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 146 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
Melting_Point:	56-58 °C(lit.)
Exact_Mass:	212.924774
MF:	C7H4BrNS
Density:	1.5±0.1 g/cm3
Refractive_Index:	1.622
PSA:	44.45000
Flash_Point:	123.2±22.6 °C
Molecular_Structure:	['1 . Molar refractive index 4371 ', '2 . Molar volume （m3/mol）1310 ', '3 . Parachor （902K）3387 ', '4 . Surface tension 446 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1733']
FW:	214.082

Safety_Statements:	H302 + H312 + H332-H315-H319-H334-H335
RIDADR:	2811
WGK_Germany:	3
Hazard_Codes:	Xn,Xi,C
RTECS:	NX8400000
HS_Code:	2930909090
Risk_Statements(EU):	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R42:May cause sensitization by inhalation.
Symbol:	Danger
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard_Class:	6.1
Packing_Group:	III
Warning_Statement:	P261-P280-P305 + P351 + P338-P342 + P311