1-Chloropyrene - Technical (min 80%)

CAT: 0926-FC149280Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FC149280Size:0.5 g

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CAS Number

34244-14-9

MDL Number

MFCD00014327

Smiles

C1=CC2=C3C (=C1) C=CC4=C (C=CC (=C43) C=C2) Cl

Molecular Formula

C16H9Cl

Molecular Weight

236.7 g/mol

Controlled

Chemical Information

1-Chloropyrene

structure given in first source

CAS Number	34244-14-9
PubChem CID	36730
IUPAC Name	1-chloropyrene
Molecular Formula	C16H9Cl
Molecular Weight	236.69
XLogP	5.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	300

SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)Cl

InChI

InChI=1S/C16H9Cl/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

InChIKey

WNYHOOQHJMHHQW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34244-14-9

CID: 36730

Formula: C16H9Cl

MW: 236.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.69
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	236.0392780
Monoisotopic Mass	236.0392780
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	300
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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Catalog	Name
LC-10678.1	Ethanol 80 % technical grade, denaturated (MEK 1 %, IPA 1 %, Bitrex 1g/100l)
TRC-C380113-50MG	1-Chloropyrene (~80%)
TRC-P689433-5G	Polysorbate 80 (Technical Grade)
163732	Diallyl Disulphide (Technical grade, >80%)
TRC-C834600-5G	Cumene Hydroperoxide (80%, Technical grade)
TRC-S697040-250MG	Sucrose 6’-Acetate, Technical grade 80%
MBS6050007-01	Sucrose 6'-Acetate, Technical grade 80%
163214	Cumene Hydroperoxide (80%, Technical grade) discontinued. See 269220
TRC-T795840-100MG	[4-(Trimethylammonium)butyl] Methanethiosulfonate Bromide (Technical Grade, >80%)
TRC-H949255-2G	3-(4’-Hydroxyphenyl)propionic Acid-OSu (Technical Grade, ~80%)