CAS 56043-01-7 2-Amino-6-methylbenzonitrile (HCID 279973)

基本情報

CAS: 56043-01-7
標準SMILES: Cc1cccc(N)c1C#N
InChIKey: PKOMYWHVCYHAHW-UHFFFAOYSA-N
分子式: C8H8N2
平均分子量: 132.16 g/mol
単同位体質量: 132.06874826

名称と識別子

優先名称: 2-Amino-6-methylbenzonitrile
IUPAC: 2-amino-6-methylbenzonitrile
現地名: 2-アミノ-6-メチルベンゾニトリル
英語名: 2-AMINO-6-METHYLBENZONITRILE
分子式: C8H8N2
分子量: 132.16

名称と別名

2-Amino-6-methylbenzonitrileDTXSID10299544RefChem:464795DTXCID60250680628-808-456043-01-72-Amino-6-Methyl-Benzonitrile2-cyano-3-methylanilineMFCD00058686NSC131291SCHEMBL1143074SCHEMBL31208138

名称をさらに表示

2-アミノ-6-メチルベンゾニトリル6-AMINO-O-TOLUNITRILE2-methyl-6-aminobenzonitrileBenzonitrile, 2-amino-6-methyl-2-Amino-6-methylbenzonitrilepurum2-AMino-6-Methylbenzonitrile >=97.0%2-azanyl-6-methyl-benzenecarbonitrile2-AMINO-6-METHYLBENZONITRILE PURUM 97%2-Amino-6-methylbenzonitrile,6-Amino-o-tolunitrile

PKOMYWHVCYHAHW-UHFFFAOYSA-NSTR06027CL8150AKOS006230574AC-9413CS-W013409NSC-131291SY112292

データベース識別子

CAS: 56043-01-7
PubChem CID: 279973
DTXSID: DTXSID10299544
EC Number: 628-808-4
Nikkaji: J1.608.890K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 127 · 127-132 °C
沸点: 287.6 · 287.6±28.0 °C(Predicted)
比重(密度): 1.1 · 1.10±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 1.94 · 1.94±0.10(Predicted)
色: Yellow to brown
BRN: 2082175 · 2082175
InChI: 1S/C8H8N2/c1-6-3-2-4-8(10)7(6)5-9/h2-4H,10H2,1H3
InChIKey: PKOMYWHVCYHAHW-UHFFFAOYSA-N
SMILES: Cc1cccc(N)c1C#N
CAS データベース: 56043 · 56043-01-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.