Quality Level

200
100

vapor density

3 (vs air)
4.5 (vs air)

grade

technical grade

assay

97%
≥97.0% (GC)
≥98.5%
80%

vapor pressure

2 mmHg ( 20 °C)
0.9 mmHg ( 30 °C)

refractive index

n20/D 1.479
n20/D 1.452 (lit.)
n20/D 1.561 (lit.)
n20/D 1.406 (lit.)

autoignition temp.

644 °F
878 °F

bp

93 °C/25 mmHg (lit.)
137-140 °C/25 mmHg (lit.)
195 °C (lit.)
130 °C (lit.)

density

0.924 g/mL at 20 °C (lit.)
1.167 g/mL at 25 °C (lit.)
0.914 g/mL at 25 °C
0.809 g/mL at 25 °C (lit.)

purified by

glass distillation

expl. lim.

1.2-9 %, 100 °F
0.7 %, 75 °F
6.5 %, 130 °F

contains

1000 ppm p-tert-butylcatechol as inhibitor

application(s)

HPLC: suitable

impurities

<0.020% water

evapn. residue

<0.001%

storage temp.

2-8°C

mp

−117 °C (lit.)

λ

H₂O reference

UV absorption

λ: 215 nm A_max: 1.00
λ: 220 nm A_max: 0.50
λ: 240 nm A_max: 0.10
λ: 260 nm A_max: 0.04
λ: 280-400 nm A_max: 0.01

SMILES string

CCO[Si](C)(C)c1ccccc1
CCCCCCC(Br)C(=O)OCC
C=Cc1ccc(C=C)cc1
CC(C)CCO

InChI

1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3
1S/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h3-8H,1-2H2
1S/C10H16OSi/c1-4-11-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

InChI key

PHTQWCKDNZKARW-UHFFFAOYSA-N
FIHCECZPYHVEJO-UHFFFAOYSA-N
MYRTYDVEIRVNKP-UHFFFAOYSA-N
JIQJOKSCSVMZAN-UHFFFAOYSA-N