1-Hepten-4-yne

CAT: 0286-H01777Size: 5 gDry Ice: NoHazardous: No

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CAT#:0286-H01777Size:5 g

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CAS Number

19781-78-3

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00041635

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

Precautions

P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-Hepten-4-yne

CAS Number	19781-78-3
PubChem CID	12623293
IUPAC Name	hept-1-en-4-yne
Molecular Formula	C7H10
Molecular Weight	94.15
XLogP	2.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	97

SMILES

CCC#CCC=C

InChI

InChI=1S/C7H10/c1-3-5-7-6-4-2/h3H,1,4-5H2,2H3

InChIKey

MXAOTVQVMJKVGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19781-78-3

CID: 12623293

Formula: C7H10

MW: 94.15

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	94.15
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	94.078250319
Monoisotopic Mass	94.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	97.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
sc-504085	1-Bromo-6,6-dimethyl-2-hepten-4-yne
CS-T-72266	(2Z) -1-Chloro-6,6-dimethyl-2-hepten-4-yne
TRC-C367610-10MG	(2Z)-1-Chloro-6,6-dimethyl-2-hepten-4-yne
sc-264832	1-Hepten-4-ol
TRC-B684165-750MG	1-Bromo-6,6-dimethyl-2-hepten-4-yne(Mixture of cis-trans isomers)
SHA98995-01	4-Methanesulfonylbut-1-yne
AAA87128	1-Penten-4-yne
P227615	1-Penten-4-yne
OR70029-01	4-Cyanobut-1-yne
OR92863-01	4-Iodobut-1-yne

1-Hepten-4-yne

Chemical Information

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