基本情報
- CAS
2044-73-7- 標準SMILES
SCc1ccccn1- InChIKey
SJIIDWBFRZACDQ-UHFFFAOYSA-N- 分子式
- C6H7NS
- 平均分子量
- 125.19 g/mol
- 単同位体質量
- 125.02992022
名称と識別子
- 優先名称
- 2-Pyridinemethanethiol
- IUPAC
- pyridin-2-ylmethanethiol
- 現地名
- 2-ピリジンメタンチオール
- 英語名
- 2-Pyridinemethanethiol
- 分子式
- C6H7NS
- 分子量
- 125.19
名称と別名
2-Pyridinemethanethiol2044-73-7pyridin-2-ylmethanethiol2-Picolylthiol2-PyridinylmethanethiolPyridine-2-thiocarbinol2-Pyridylmethyl mercaptan2-(Mercaptomethyl)pyridine2-Pyridinylmethyl mercaptanFEMA No. 3232UNII-PB9B741VC3EINECS 218-061-9
名称をさらに表示
ピリジン-2-メタンチオール2-ピリジニルメタンチオール2-ピリジンメタンチオールFEMA 3232FEMA NUMBER 3232PYRIDINE-2-METHANETHIOL2-pyridylmethylmercaptan2-MERCAPTOMETHYL PYRIDINE
NSC 823202-PYRIDINE METHANETHIOLPB9B741VC3BRN 01078532-pyridinyl methane thiolNSC-823205-21-02-00161 (Beilstein Handbook Reference)DTXSID6062127
データベース識別子
- CAS
2044-73-7- PubChem CID
- 256071
- DTXSID
DTXSID6062127- UNII
- PB9B741VC3
- EC Number
- 218-061-9
- Nikkaji
- J52.346A
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 13.9 Ų
- 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
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 65.5
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.150-1.157
Flavoring AgentsEU Flavoring substances
SolubilitySoluble (in ethanol)
Boiling Point
57.00 to 58.00 °C. @ 0.60 mm Hg
57-58 °C (0.6 mm Hg)
Refractive Index1.573-1.580
Physical DescriptionColourless to yellow liquid; Pungent sulferous aroma
物理化学的性質
- 沸点
- 234 °C · 234°C (estimate)
- 比重(密度)
- 1.136 · 1.136 (estimate)
- 屈折率
- 1.4606 · 1.4606 (estimate)
- FEMA
- 3232 · 3232 | 2-PYRIDINEMETHANETHIOL
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 酸解離定数(Pka)
- 8.93 · 8.93±0.10(Predicted)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (98.9%): 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 91 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Pyridinemethanethiol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Pyridinemethanethiol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2933399990
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Pyridinemethanethiol: INACTIVE
調製方法
製造方法By hydrolysis of 2-pyridylmethyl-tert-butyl sulfide with sulfuric acid in aqueous solution; from 2-pyridylmethyl chloride
サプライヤー60 社
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
関連反応
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