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Product No: AA8867

4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine, 97%

Name: 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

35808-68-5

Molecular Weight

167.6

Formula

C7H6ClN3

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About this item

IUPAC name	4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
canonical smiles	CC1=CC2=C(N1)N=CN=C2Cl
inchi	InChI=1S/C7H6ClN3/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)
inchi key	PGQJBJDESGAJSO-UHFFFAOYSA-N
molecular formula	C7H6ClN3
synonyms	4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine 35808-68-5 MFCD09033903 NSC344519 1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-

Computed Properties

Molecular Weight:	167.59 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	167.0250249 g/mol
Monoisotopic Mass:	167.0250249 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	153
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

Indole

Skatole

2-Methylindole

4-Hydroxyindole

6-Methyl-1,2,3,4-tetrahydroquinoline

1H-Indol-3-ol

4-Hydroxyquinoline

Indoline

7-Azaindole

3-methyl-3,4-dihydro-2H-1,4-benzoxazine

4-Hydroxy-2-methylquinoline

2-Methylindoline

2,3-Dimethylindole

2,3-Dihydro-1H-imidazo[1,2-b]pyrazole

ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

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	4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
canonical smiles	CC1=CC2=C(N1)N=CN=C2Cl
inchi	InChI=1S/C7H6ClN3/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)
inchi key	PGQJBJDESGAJSO-UHFFFAOYSA-N
molecular formula	C7H6ClN3
synonyms	4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine 35808-68-5 MFCD09033903 NSC344519 1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-

Computed Properties

Molecular Weight:	167.59 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	167.0250249 g/mol
Monoisotopic Mass:	167.0250249 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	153
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

Indole

Skatole

2-Methylindole

4-Hydroxyindole

6-Methyl-1,2,3,4-tetrahydroquinoline

1H-Indol-3-ol

4-Hydroxyquinoline

Indoline

7-Azaindole

3-methyl-3,4-dihydro-2H-1,4-benzoxazine

4-Hydroxy-2-methylquinoline

2-Methylindoline

2,3-Dimethylindole

2,3-Dihydro-1H-imidazo[1,2-b]pyrazole

ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA8867

4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine, 97%

Product No: AA8867

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: AA8867

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?