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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[3-(2,5-undecadien-1-yl)-2-oxiranyl]-
18039-42-4 structure

5-Heptenoic acid,7-[3-(2,5-undecadien-1-yl)-2-oxiranyl]-

Iupac Name:5-phenyl-2H-tetrazole
CAS No.:18039-42-4
Molecular Weight:146.14934
Molecular Formula:C22H38O4 (isomer)
Names and Identifiers
Synonyms

(+)8,9-epoxyeicosa-8z,11z,14z trienoic acid (+/-)8 9-epoxyeicosa-5z,11z,14z-trienoic acid (+/-)8,9-eet (+/-)8,9-epoxyeicosa-5z,11z,14z-trienoic acid (a+/-)8,9-epoxyeicosa-5z,11z,14z-trienoic acid 5-Heptenoicacid, 7-[3-(2,5-undecadienyl)oxiranyl]- (9CI) 7-(3-undeca-2,5-dienyloxiran-2-yl)hept-5-enoic acid 7-[3-(2,5-Undecadienyl)oxiranyl]-5-heptenoic acid 8,9-Epoxyeicosa-5,11,14-trienoic acid 8,9-Epoxyeicosatrienoic acid AC1L1CHI BIO1_000143 BIO1_000632 BIO1_001121 BIO2_000201 BIO2_000681 CBIOL_001857 KBIO2_000201 KBIO2_002769 KBIO2_005337 KBIO3_000401 KBIO3_000402 KBIOGR_000201 KBIOSS_000201

Inchi
InChI=1/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
InChkey
MARUHZGHZWCEQU-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=NNN=N2
Isomers Smiles
C1=CC=C(C=C1)C2=NNN=N2
Properties
Appearance
Clear oil
Density
1.21
Melting Point
216-219℃
Vapour
0.000165mmHg at 25°C
Flash Point
393.7°C
Solubility
Soluble in ethanol (50 mg/ ml)
HS Code
2933990090
Storage temp
−20°C
Safety and Handling
Risk Statements
R11;R22;R44
Safety Statements
S16;S26;S37/39
HazardClass
IRRITANT
Hazard Note
H302
Safety
Hazard Codes:F,Xi
Risk Statements:11-36/37/38
11:Highly Flammable
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:16-26-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
RIDADR:UN 1170 3/PG 2
PackingGroup
III
Transport
10kgs
Specification

Safety Statements:16-26-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:146.14934g/mol
  • Molecular Formula:C22H38O4
  • Exact Mass:146.059246
  • Monoisotopic Mass:146.059246
  • Complexity:122
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:54.5
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
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