5-Methyl-2-formylpyrrole

HCID 14508
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Basic information

CAS
1192-79-6
Standard SMILES
Cc1ccc(C=O)[nH]1
InChIKey
LFWLUDLUCDRDAF-UHFFFAOYSA-N
Molecular formula
C6H7NO
Average molar mass
109.13 g/mol
Monoisotopic mass
109.05276385

Names & identifiers

Preferred name
5-Methyl-2-formylpyrrole
IUPAC
5-methyl-1H-pyrrole-2-carbaldehyde
English name
5-METHYL-1H-PYRROLE-2-CARBALDEHYDE
Molecular formula
C6H7NO
Molecular weight
109.13

Names & synonyms

5-Methyl-1H-pyrrole-2-carbaldehyde1192-79-65-METHYL-2-FORMYLPYRROLESP16VW48RINSC-81349DTXSID50152341NSC 81349RefChem:537007DTXCID1074832822-709-1InChI=1/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H5-METHYLPYRROLE-2-CARBALDEHYDE
Show more names
Nsc813495-METHYLPYRROLE-2-CARBOXALDEHYDE5-methylpyridine-2-methylaldehyde
1H-Pyrrole-2-carboxaldehyde, 5-methyl-MFCD082367732-formyl-5-methylpyrrolePyrrole-2-carboxaldehyde, 5-methylAB43978Q27289321Z11981766685-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE

Database identifiers

CAS
1192-79-6
PubChem CID
14508
DTXSID
DTXSID50152341
UNII
SP16VW48RI
EC Number
822-709-1
Nikkaji
J121.848D

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
32.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
8

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1092；1105；1099

2046；2079；2030；2088.1

Physicochemical properties

Melting point
68 °C · 68 °C
Boiling point
79 °C · 79 °C(Press: 1 Torr)
Density
1.14 · 1.140±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
15.93 · 15.93±0.50(Predicted)
Appearance
White to yellow Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code
2933998090
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Upstream & downstream products

Suppliers59 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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