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Methyl 2,4-dichloropyrimidine-5-carboxylate

Methyl 2,4-dichloropyrimidine-5-carboxylate - CAS 3177-20-6

Name: Methyl 2,4-dichloropyrimidine-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021052
Product Name:	Methyl 2,4-dichloropyrimidine-5-carboxylate
CAS:	3177-20-6
Synonyms:	methyl 2,4-dichloropyrimidine-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2,4-dichloropyrimidine-5-carboxylate
Description:	Methyl 2,4-dichloropyrimidine-5-carboxylate (CAS# 3177-20-6) is a useful research chemical.
Molecular Weight:	207.01
Molecular Formula:	C6H4Cl2N2O2
Canonical SMILES:	COC(=O)C1=CN=C(N=C1Cl)Cl
InChI:	InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3
InChI Key:	FNNAWVXVOHNOFF-UHFFFAOYSA-N
Boiling Point:	299.3 °C at 760 mmHg
Melting Point:	30-34 °C
Purity:	95 %
Density:	1.503 g/cm³
Appearance:	White to tan fibrous powder or solid or colorless to tan liquid
MDL:	MFCD09910342
LogP:	1.57000

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	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]
Precautionary Statement:	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
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111303125-A	Methoxy-substituted indole-pyrimidine compound and preparation method thereof	20200410
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
WO-2020233669-A1	Indole derivative-containing inhibitor, preparation method therefor and application thereof	20190522
CN-112292378-A	Indole derivative-containing inhibitor, preparation method and application thereof	20190522
US-2019337930-A1	Synthesis of cerdulatinib	20180504

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.9649828
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.9649828
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2