基本情報
- CAS
1721-93-3- 標準SMILES
Cc1nccc2ccccc12- InChIKey
PBYMYAJONQZORL-UHFFFAOYSA-N- 分子式
- C10H9N
- 平均分子量
- 143.18 g/mol
- 単同位体質量
- 143.07349929
名称と識別子
- 優先名称
- 1-Methylisoquinoline
- IUPAC
- 1-methylisoquinoline
- 現地名
- 1-メチルイソキノリン
- 英語名
- 1-METHYLISOQUINOLINE
- 分子式
- C10H9N
- 分子量
- 143.19
名称と別名
1-METHYLISOQUINOLINE1721-93-3Z96HOX9RT9NSC-101175DTXSID20870904RefChem:76400DTXCID00818586217-017-6IsoquinaldineIsoquinoline, 1-methyl-1-Methyl-isoquinolineIsoquinoline, methyl-
名称をさらに表示
1-メチルイソキノリンイソキナルジン1‐メチルイソキノリン1-メチルイソキノリン, IN ISOOCTANE (1000ΜG/ML)1α-メチルイソキノリン1-methyisoquinoline1-Methylisoquinoline>1-Methylisoquinoline 97%1-Methylisoquinoline≥ 99% (GC)1-Methylisoquinoline in isooctane1-METHYLISOQUINOLINE ISO 9001：2015 REACH
MFCD00006902CHEMBL364698methylisoquinoline58853-80-8UNII-Z96HOX9RT9EINECS 217-017-61-methyl isoquinolineNSC 101175
データベース識別子
- CAS
1721-93-3、58853-80-8- PubChem CID
- 15592
- DTXSID
DTXSID20870904- ChEMBL
CHEMBL364698- ChEBI
CHEBI:125469- UNII
- Z96HOX9RT9
- EC Number
- 217-017-6
- Nikkaji
- J113.949E
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 12.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 133
実験および物理化学的性質
Kovats Retention Index
1326
1344.6；229.21
物理化学的性質
- 融点
- 10 · 10-12°C
- 沸点
- 126 · 126-128 °C16 mm Hg(lit.)
- 比重(密度)
- 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.6140(lit.)
- 闪点
- 230 °F · >230 °F
- 外見
- 結晶性
- 酸解離定数(Pka)
- 6.19 · 6.19±0.30(Predicted)
- 色
- Colorless to Light yellow to Light orange
- 比重
- 1.078 · 1.078
- InChI
- 1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3
- InChIKey
- PBYMYAJONQZORL-UHFFFAOYSA-N
- SMILES
- Cc1nccc2ccccc12
- CAS データベース
- 1721 · 1721-93-3(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Isoquinoline, 1-methyl-(1721-93-3)
化学的性質
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, 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 45 reports by companies from 5 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.
危険有害性情報
Regulatory Information1-Methylisoquinoline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
法規制情報
Regulatory Information1-Methylisoquinoline: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 36/37/38
- 消防法
- 危-4-3-III
化学と産業
応用分野
用途有機合成原料。
使用1-Methylisoquinoline is a useful research chemical compound.
上流・下流製品情報
下流製品
サプライヤー79 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海策嵘生物科技有限公司[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
関連反応
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