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Product No: CK0920

1-iodo-4-methylbenzene, 95%

Name: 1-iodo-4-methylbenzene
Brand: Chempure

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CAS Number

624-31-7

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IUPAC name	1-iodo-4-methylbenzene
canonical smiles	CC1=CC=C(C=C1)I
inchi	InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
inchi key	UDHAWRUAECEBHC-UHFFFAOYSA-N
molecular formula	C7H7I
synonyms	4-Iodotoluene 1-Iodo-4-methylbenzene 624-31-7 P-IODOTOLUENE Benzene, 1-iodo-4-methyl-

Computed Properties

Molecular Weight:	218.03 g/mol
XLogP3:	3.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	0
Exact Mass:	217.95925 g/mol
Monoisotopic Mass:	217.95925 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	62.8
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

Related Compounds

Toluene

1,4-Dichlorobenzene

Benzene

Thymol

P-Xylene

Cyclohexane

Bromobenzene

Terpinolene

Limonene, (-)-

3-Ethylphenol

4-Methylstyrene

Thiophene

4-tert-Butylphenol

1,2,4,5-Tetrachlorobenzene

6-tert-Butyl-m-cresol

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (36.84%) Acute Tox. 4 (10.53%) Skin Irrit. 2 (78.95%) Eye Irrit. 2A (89.47%) STOT SE 3 (47.37%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (36.84%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (10.53%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (78.95%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (89.47%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (10.53%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (47.37%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See 4-Chlorotoluene.

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-iodo-4-methylbenzene
canonical smiles	CC1=CC=C(C=C1)I
inchi	InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
inchi key	UDHAWRUAECEBHC-UHFFFAOYSA-N
molecular formula	C7H7I
synonyms	4-Iodotoluene 1-Iodo-4-methylbenzene 624-31-7 P-IODOTOLUENE Benzene, 1-iodo-4-methyl-

Computed Properties

Molecular Weight:	218.03 g/mol
XLogP3:	3.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	0
Exact Mass:	217.95925 g/mol
Monoisotopic Mass:	217.95925 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	62.8
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

Related Compounds

Toluene

1,4-Dichlorobenzene

Benzene

Thymol

P-Xylene

Cyclohexane

Bromobenzene

Terpinolene

Limonene, (-)-

3-Ethylphenol

4-Methylstyrene

Thiophene

4-tert-Butylphenol

1,2,4,5-Tetrachlorobenzene

6-tert-Butyl-m-cresol

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (36.84%) Acute Tox. 4 (10.53%) Skin Irrit. 2 (78.95%) Eye Irrit. 2A (89.47%) STOT SE 3 (47.37%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (36.84%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (10.53%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (78.95%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (89.47%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (10.53%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (47.37%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See 4-Chlorotoluene.

Product No: CK0920

1-iodo-4-methylbenzene, 95%

Product No: CK0920

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CK0920

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?