Tert-Butyl bromide

*tert*-Butyl bromide
Names
	Preferred IUPAC name 2-Bromo-2-methylpropane
	Other names 1-Bromo-1,1-dimethylethane[citation needed]; Bromotrimethylmethane[citation needed]; 1,1-Dimethylethyl bromide[citation needed]; Trimethylbromomethane[citation needed];
Identifiers
CAS Number	507-19-7 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1730892
ChEMBL	ChEMBL347644 ;
ChemSpider	10053 ;
ECHA InfoCard	100.007.333
EC Number	208-065-9;
PubChem CID	10485;
RTECS number	TX4150000;
UNII	5LWO08435U ;
UN number	2342
CompTox Dashboard (EPA)	DTXSID5060144 ;
	InChI InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3 Key: RKSOPLXZQNSWAS-UHFFFAOYSA-N ;
	SMILES CC(C)(C)Br;
Properties
Chemical formula	C4H9Br
Molar mass	137.020 g·mol−1
Appearance	Colorless liquid
Density	1.22 g mL−1 (at 20 °C)
Melting point	−16.20 °C; 2.84 °F; 256.95 K
Boiling point	73.3 °C; 163.8 °F; 346.4 K
log P	2.574
Henry's law; constant (kH)	310 nmol Pa−1 kg−1
Refractive index (nD)	1.4279
Thermochemistry
Heat capacity (C)	165.7 J K mol−1
Std enthalpy of; formation (ΔfH⦵298)	−133.4 kJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225
Precautionary statements	P210
Flash point	16 °C (61 °F; 289 K)
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	1.25 g kg−1 (intraperitoneal, rat); 4.4 g kg−1 (intraperitoneal, mouse);
Related compounds
Related alkanes	Bromoethane; n-Propyl bromide; 2-Bromopropane; 1-Bromobutane; 2-Bromobutane;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

tert-Butyl bromide (also referred to as 2-bromo-2-methylpropane) is an organic compound with the formula Me₃CBr (Me = methyl). The molecule features a tert-butyl group attached to a bromide substituent. This organobromine compound is used as a standard reagent in synthetic organic chemistry. It is a colorless liquid.

^ "2-Bromo-2-methylpropane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification. Retrieved 16 June 2012.
^ CRC Handbook of Chemistry and Physics 65th Ed.

[1] "2-Bromo-2-methylpropane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification. Retrieved 16 June 2012.

[crc-2] CRC Handbook of Chemistry and Physics 65th Ed.

[1]

[2]

Names


Preferred IUPAC name 2-Bromo-2-methylpropane^[1]
Other names 1-Bromo-1,1-dimethylethane^{[citation needed]} Bromotrimethylmethane^{[citation needed]} 1,1-Dimethylethyl bromide^{[citation needed]} Trimethylbromomethane^{[citation needed]}
Identifiers
CAS Number	507-19-7^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1730892
ChEMBL	ChEMBL347644^Y
ChemSpider	10053^Y
ECHA InfoCard	100.007.333
EC Number	208-065-9
PubChem CID	10485
RTECS number	TX4150000
UNII	5LWO08435U^Y
UN number	2342
CompTox Dashboard (EPA)	DTXSID5060144
InChI InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3^Y Key: RKSOPLXZQNSWAS-UHFFFAOYSA-N^Y
SMILES CC(C)(C)Br
Properties
Chemical formula	C₄H₉Br
Molar mass	137.020 g·mol⁻¹
Appearance	Colorless liquid
Density	1.22 g mL⁻¹ (at 20 °C)^[2]
Melting point	−16.20 °C; 2.84 °F; 256.95 K
Boiling point	73.3 °C; 163.8 °F; 346.4 K
log P	2.574
Henry's law constant (k_H)	310 nmol Pa⁻¹ kg⁻¹
Refractive index (n_D)	1.4279
Thermochemistry
Heat capacity (C)	165.7 J K mol⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−133.4 kJ mol⁻¹
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225
Precautionary statements	P210
Flash point	16 °C (61 °F; 289 K)
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1.25 g kg⁻¹ (intraperitoneal, rat) 4.4 g kg⁻¹ (intraperitoneal, mouse)
Related compounds
Related alkanes	Bromoethane n-Propyl bromide 2-Bromopropane 1-Bromobutane 2-Bromobutane
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references