2-Chloro-6-methylpyridine-3-carbonitrile

HCID 520400CAS 28900-10-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C#N)c(Cl)n1
InChIKey
YSBNBAYNISAUIT-UHFFFAOYSA-N
Molecular formula
C7H5ClN2
Average molar mass
152.58 g/mol
Monoisotopic mass
152.0141259

Names & identifiers

Preferred name
2-Chloro-6-methylpyridine-3-carbonitrile
IUPAC
2-chloro-6-methylpyridine-3-carbonitrile
English name
2-Chloro-6-methyl-3-pyridinecarbonitrile
Molecular formula
C7H5ClN2
Molecular weight
152.58

Names & synonyms

2-chloro-6-methylpyridine-3-carbonitrileRefChem:469704628-229-728900-10-92-Chloro-6-methylnicotinonitrile2-Chloro-6-methyl-3-pyridinecarbonitrile2-Chloro-3-cyano-6-methylpyridineMFCD000827673-Pyridinecarbonitrile, 2-chloro-6-methyl-2-Chloro-6-methyl-nicotinonitrileDTXSID60334338CS-M1411
Show more names
AKOS BBS-00008244BUTTPARK 153\57-09IFLAB-BB F3250-0678TIMTEC-BB SBB0066182-chloro-3-cyano-6-methypyridine2-Chloro-6-methyl-3-cyano-pyridine2-chloro-6-methylnicotinonitrile 99%
TD8102F3250-0678PB12067AC-24537AS-17587BB 0219228VU0607312-12-Chloro-3-cyano-6-picoline

Database identifiers

CAS
28900-10-9
PubChem CID
520400
DTXSID
DTXSID60334338
EC Number
628-229-7
Nikkaji
J1.350.506C

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
36.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
114 · 114-116 °C (lit.)
Boiling point
140 · 140-145 °C (lit.)
Density
1.2763 · 1.2763 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform, Methanol

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (10.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (10.9%)；Eye Irrit. 2 (89.1%)；Acute Tox. 4 (89.1%)；STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
3276
hs_code
29333990
risk_code
20/21/22-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

Uses2-Chloro-6-methyl-3-pyridinecarbonitrile, is a building block used for the synthesis of various biologically active compounds. It can be used for the preparation of 2-(Alkoxycarbonyl)-3-Anilinobenzo[b]thiophenes and Thieno[2,3-b]pyridines as new potent anticancer agents.

Uses2-Chloro-6-methyl-3-pyridinecarbonitrile, is a building block used for the synthesis of various biologically active compounds. It can be used for the preparation of 2-(Alkoxycarbonyl)-3-Anilinobenzo[b]thiophenes and Thieno[2,3-b]pyridines as new potent anticancer agents.

Uses2-Chloro-6-methyl-3-pyridinecarbonitrile (2-chloro-6-methylnicotinonitrile) may be used in the preparation of methyl-2-nitropyridinecarboxamides.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

Related reactions

34 records
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Linked notes

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