-OEChem-10051111222D

  3  2  0     0  0  0  0  0  0999 V2000
    1.5414    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
149285

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000075058

> <PUBCHEM_SUBSTANCE_COMMENT>
Human Data
Mutation data
Reproductive Effect
Skin / Eye Irritant
Tumor data
TSCA Flag T [Subject to the Section 4 test rule under TSCA]
Reportable Quantity (RQ) = 5000 lb
TWA 40 ppm (70 mg/m3)
TWA (20 ppm); Not classifiable as a human carcinogen, Skin

> <PUBCHEM_SUBSTANCE_SYNONYM>
54841-72-4
75-05-8
AI3-00327
Acetonitril
Acetonitril [German, Dutch]
Acetonitrile
Acetonitrile [UN1648]  [Flammable liquid]
CCRIS 1628
Cyanomethane
Cyanure de methyl
Cyanure de methyl [French]
EINECS 200-835-2
Ethanenitrile
Ethyl nitrile
HSDB 42
Methane, cyano-
Methanecarbonitrile
Methyl cyanide
Methylkyanid
Methylkyanid [Czech]
NCI-C60822
NSC 7593
RCRA waste no. U003
RCRA waste number U003
UN1648
USAF EK-488

> <PUBCHEM_GENERIC_REGISTRY_NAME>
54841-72-4
75-05-8

> <PUBCHEM_XREF_EXT_ID>
000075058

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000075058

> <PUBCHEM_CID_ASSOCIATIONS>
6342  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$