628-71-7

Name 1-Heptyne
CAS 628-71-7
EINECS(EC#) 211-051-5
Molecular Formula C7H12
MDL Number MFCD00009529
Molecular Weight 96.17
MOL File 628-71-7.mol
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Chemical Properties

Appearance clear colorless to light yellow-green liquid
Melting point  -81 °C (lit.)
Boiling point  99-100 °C (lit.)
density  0.733 g/mL at 25 °C(lit.)
vapor pressure  93.1 mm Hg ( 37.7 °C)
refractive index  n20/D 1.408(lit.)
Fp  28 °F
storage temp.  Flammables area
form  Liquid
color  Clear colorless to light yellow-green
Water Solubility  Soluble in organic solvents. Insoluble in water.
BRN  1733518
Henry's Law Constant 1.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI 1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChIKey YVXHZKKCZYLQOP-UHFFFAOYSA-N
SMILES CCCCCC#C
LogP 3.208 (est)
CAS DataBase Reference 628-71-7(CAS DataBase Reference)
NIST Chemistry Reference 1-Heptyne(628-71-7)
EPA Substance Registry System 628-71-7(EPA Substance)
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Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Danger
Hazard statements  H225
Precautionary statements  P210-P233-P240-P241-P242-P243
Hazard Codes  F,Xn
Risk Statements 
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage if swallowed.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S9:Keep container in a well-ventilated place .
S33:Take precautionary measures against static discharges .
RIDADR  UN 3295 3/PG 2
WGK Germany  3
F  10-23
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29012980
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2

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Material Safety Data Sheet(MSDS)

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