2-Chloro-4-pyridinecarboxaldehyde

HCID 2762994CAS 101066-61-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccnc(Cl)c1
InChIKey
UFPOSTQMFOYHJI-UHFFFAOYSA-N
Molecular formula
C6H4ClNO
Average molar mass
141.55 g/mol
Monoisotopic mass
140.9981414

Names & identifiers

Preferred name
2-Chloro-4-pyridinecarboxaldehyde
IUPAC
2-chloropyridine-4-carbaldehyde
English name
2-Chloroisonicotinaldehyde
Molecular formula
C6H4ClNO
Molecular weight
141.56

Names & synonyms

2-chloro-4-pyridinecarboxaldehydeRefChem:469100622-550-62-Chloroisonicotinaldehyde101066-61-92-Chloropyridine-4-carbaldehyde2-CHLOROPYRIDINE-4-CARBOXALDEHYDE2-Chloro-4-formylpyridine4-PYRIDINECARBOXALDEHYDE, 2-CHLORO-2-Chloro-pyridine-4-carbaldehydeMFCD06651557SCHEMBL39750
Show more names
2-chloro-3-forMylpyridine-4-carboxylic acidoroisonicotinaLBUTTPARK 154\50-03TIMTEC-BB SBB0041562-Chloroisonicotinal2-ChloronicotinealdehydeCHLORO-2-FORMYL-3-PYRIDINE2-Chloroisonicotinaldehyde 97%
2-chloropyridin-4-carbaldehydeDTXSID90376645AKOS005070018CS-W011025PB21899SY025970C27232Z-0705

Database identifiers

CAS
101066-61-9
PubChem CID
2762994
DTXSID
DTXSID90376645
EC Number
622-550-6
Nikkaji
J1.584.182F

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
46 · 46-50 °C
Boiling point
243.4 · 243.4±20.0 °C(Predicted)
Density
1.332 · 1.332±0.06 g/cm3(Predicted)
Flash point
230 °C · >230 °C
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (87%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 (87%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (87%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
2933399990
risk_code
22-36-43-36/37/38-20/21/22-42/43
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses2-Chloropyridine-4-carboxaldehyde is a reagent used in the chemoenzymic synthesis of α-fluoro β-hydroxy carboxylic esters. It is also a reagent in the combinatorial synthesis of methylene sulfonamides and related compounds as potential kinase inhibitors.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

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Linked notes

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