基本情報
- 標準SMILES
NNc1ncccc1Cl- InChIKey
XAYCTBDPZIKHCW-UHFFFAOYSA-N- 分子式
- C5H6ClN3
- 平均分子量
- 143.57 g/mol
- 単同位体質量
- 143.0250249
名称と識別子
- 優先名称
- 3-Chloro-2-hydrazinylpyridine
- IUPAC
- (3-chloro-2-pyridinyl)hydrazine
- 英語名
- (3-Chloro-pyridin-2-yl)-hydrazine
- 分子式
- C5H6ClN3
- 分子量
- 143.57
名称と別名
名称をさらに表示
データベース識別子
- CAS
22841-92-5- PubChem CID
- 556100
- DTXSID
DTXSID20945540- EC Number
- 474-260-2、690-673-2
- Nikkaji
- J2.135.632H
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 50.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 88
物理化学的性質
- 融点
- 165 · 165-167°
- 沸点
- 247.6 · 247.6±50.0 °C(Predicted)
- 比重(密度)
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- Chloroform (Slightly), DMSO (Slightly)
- 酸解離定数(Pka)
- 8.65 · 8.65±0.70(Predicted)
- 外見
- solid
- 色
- White
- InChI
- InChI=1S/C5H6ClN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
- InChIKey
- XAYCTBDPZIKHCW-UHFFFAOYSA-N
- SMILES
- C1(NN)=NC=CC=C1Cl
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation];H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P319, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 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
Hazard Classes and Categories
Acute Tox. 3 (100%);Acute Tox. 2 (100%);STOT RE 1 (100%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (100%)
Acute Tox. 4 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);Resp. Sens. 1 (50%);STOT SE 3 (100%)
法規制情報
安全データ
- hs_code
- 2933399990
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
化学と産業
応用分野
使用3-chloro-2-hydrazino pyridine is the important intermediate of synthesizing new ryania acceptor sterilant Rynaxypyr (Chlorantraniliprole) and cyanogen insect amide (Cyantraniliprole).
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