1-Bromobutane

1-Bromobutane
Names
	Preferred IUPAC name 1-Bromobutane
	Other names Butyl bromide
Identifiers
CAS Number	109-65-9 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1098260
ChEMBL	ChEMBL160949 ;
ChemSpider	7711 ;
ECHA InfoCard	100.003.357
EC Number	203-691-9;
MeSH	butyl+bromide
PubChem CID	8002;
RTECS number	EJ6225000;
UNII	SAV6Y78U3D ;
UN number	1126
CompTox Dashboard (EPA)	DTXSID6021903 ;
	InChI InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3 Key: MPPPKRYCTPRNTB-UHFFFAOYSA-N ;
	SMILES CCCCBr;
Properties
Chemical formula	C4H9Br
Molar mass	137.020 g·mol−1
Appearance	Colourless liquid
Density	1.2676 g mL−1
Melting point	−112.5 °C; −170.4 °F; 160.7 K
Boiling point	101.4 to 102.9 °C; 214.4 to 217.1 °F; 374.5 to 376.0 K
log P	2.828
Vapor pressure	5.3 kPa
Henry's law; constant (kH)	140 nmol Pa kg−1
Refractive index (nD)	1.439
Thermochemistry
Heat capacity (C)	162.2 J K−1 mol−1
Std molar; entropy (S⦵298)	327.02 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−148 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−2.7178–−2.7152 MJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H315, H319, H335, H411
Precautionary statements	P210, P261, P273, P305+P351+P338
Flash point	10 °C (50 °F; 283 K)
Autoignition; temperature	265 °C (509 °F; 538 K)
Explosive limits	2.8–6.6%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	2.761 g kg−1 (oral, rat)
Related compounds
Related alkanes	n-Propyl bromide; 2-Bromopropane; tert-Butyl bromide; 2-Bromobutane; 1-Bromohexane; 2-Bromohexane; 1-Bromododecane;
	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

1-Bromobutane is the organobromine compound with the formula CH₃(CH₂)₃Br. It is a colorless liquid, although impure samples appear yellowish. It is insoluble in water, but soluble in organic solvents. It is primarily used as a source of the butyl group in organic synthesis. It is one of several isomers of butyl bromide.

^ "butyl bromide - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 27 March 2005. Identification. Retrieved 17 June 2012.

[1] "butyl bromide - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 27 March 2005. Identification. Retrieved 17 June 2012.

[1]

Names


Preferred IUPAC name 1-Bromobutane^[1]
Other names Butyl bromide
Identifiers
CAS Number	109-65-9^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1098260
ChEMBL	ChEMBL160949^Y
ChemSpider	7711^Y
ECHA InfoCard	100.003.357
EC Number	203-691-9
MeSH	butyl+bromide
PubChem CID	8002
RTECS number	EJ6225000
UNII	SAV6Y78U3D^Y
UN number	1126
CompTox Dashboard (EPA)	DTXSID6021903
InChI InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3^Y Key: MPPPKRYCTPRNTB-UHFFFAOYSA-N^Y
SMILES CCCCBr
Properties
Chemical formula	C₄H₉Br
Molar mass	137.020 g·mol⁻¹
Appearance	Colourless liquid
Density	1.2676 g mL⁻¹
Melting point	−112.5 °C; −170.4 °F; 160.7 K
Boiling point	101.4 to 102.9 °C; 214.4 to 217.1 °F; 374.5 to 376.0 K
log P	2.828
Vapor pressure	5.3 kPa
Henry's law constant (k_H)	140 nmol Pa kg⁻¹
Refractive index (n_D)	1.439
Thermochemistry
Heat capacity (C)	162.2 J K⁻¹ mol⁻¹
Std molar entropy (S^⦵₂₉₈)	327.02 J K⁻¹ mol⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−148 kJ mol⁻¹
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	−2.7178–−2.7152 MJ mol⁻¹
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H315, H319, H335, H411
Precautionary statements	P210, P261, P273, P305+P351+P338
Flash point	10 °C (50 °F; 283 K)
Autoignition temperature	265 °C (509 °F; 538 K)
Explosive limits	2.8–6.6%
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	2.761 g kg⁻¹ (oral, rat)
Related compounds
Related alkanes	n-Propyl bromide 2-Bromopropane tert-Butyl bromide 2-Bromobutane 1-Bromohexane 2-Bromohexane 1-Bromododecane
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