1H-Pyrrole-2-acetonitrile, 1-methyl-

HCID 90501
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Basic information

CAS
24437-41-0
Standard SMILES
Cn1cccc1CC#N
InChIKey
ROSYAUHHRKAPHX-UHFFFAOYSA-N
Molecular formula
C7H8N2
Average molar mass
120.15 g/mol
Monoisotopic mass
120.06874826

Names & identifiers

Preferred name
1H-Pyrrole-2-acetonitrile, 1-methyl-
IUPAC
2-(1-methylpyrrol-2-yl)acetonitrile
English name
N-Methylpyrrole-2-acetonitrile
Molecular formula
C7H8N2
Molecular weight
120.15

Names & synonyms

24437-41-01H-Pyrrole-2-acetonitrile, 1-methyl-1-Methyl-2-pyrroleacetonitrilePyrrole-2-acetonitrile, 1-methyl-N-Methylpyrrol-2-ylacetonitrileEINECS 246-248-5DTXSID2066989RefChem:439205DTXCID0037077246-248-52-(1-methyl-1H-pyrrol-2-yl)acetonitrileN-Methylpyrrole-2-acetonitrile
Show more names
N-METHY-2-CYANOMETHYLPYRROLE1-methyl-1h-pyrrole-2-acetonitril(1-Methyl-2-pyrrolyl)acetonitrileN-METHYLPYRROLE-ALPHA-ACETONITRILE1-Methyl-2-pyrroleacetonitrile,95%2-(1-methyl-2-pyrrolyl)acetonitrile
2-(1-methylpyrrol-2-yl)acetonitrile1-Methylpyrrole-2-acetonitrile(1-Methyl-1H-pyrrol-2-yl)acetonitrileMFCD000030911-Methyl-1H-pyrrole-2-acetonitrile1H-Pyrrole-2-acetonitrile,1-methyl-8NKM27KEV3SCHEMBL549027

Database identifiers

CAS
24437-41-0
PubChem CID
90501
DTXSID
DTXSID2066989
UNII
8NKM27KEV3
EC Number
246-248-5
Nikkaji
J208.749I

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
28.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
28 · 28-29 °C
Boiling point
90 · 90-92 °C(Press: 1 Torr)
Density
0.97 · 0.97±0.1 g/cm3(Predicted)
pka
-4.5 · -4.50±0.70(Predicted)
form
solid
InChI
1S/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): 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, 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 40 reports by companies from 3 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

wgk
WGK 3
tsca
TSCA listed
risk_code
25
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Pyrrole-2-acetonitrile, 1-methyl-: INACTIVE

Applications

UsesN-METHYLPYRROLE-2-ACETONITRILE is an intermediate of pain-relieving agent.

Suppliers15 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]

Related reactions

63 records
New reaction record

Compound notes

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