2-ナフタレンチオール
2-Naphthalenethiol
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基本情報
- CAS
91-60-1- 標準SMILES
Sc1ccc2ccccc2c1- InChIKey
RFCQDOVPMUSZMN-UHFFFAOYSA-N- 分子式
- C10H8S
- 平均分子量
- 160.24 g/mol
- 単同位体質量
- 160.03467126
概要
2-Naphthalenethiol is a member of naphthalenes.
名称と識別子
- 優先名称
- 2-Naphthalenethiol
- IUPAC
- naphthalene-2-thiol
- 現地名
- 2-ナフタレンチオール
- 英語名
- 2-Naphthalenethiol
- 分子式
- C10H8S
- 分子量
- 160.24
名称と別名
2-NAPHTHALENETHIOLNaphthalene-2-thiol91-60-12-Mercaptonaphthalene2-Thionaphthol2-Naphthyl mercaptanVulcamel TBNbeta-Naphthyl mercaptanbeta-Naphthalenethiolbeta-MercaptonaphthaleneFEMA No. 3314SZ5U1S741V
名称をさらに表示
2-ナフタレンチオールβ-チオナフトールレナシット12-メルカプトナフタレンβ-ナフチルメルカプタンブルカメルTBNナフタレン-2-チオール2-ナフタレンチオ-ル2-チオナフトール２ナフタレンチオルチオ-2-ナフトール2-ナフタレンチオ?ル2‐チオナフトールrpa2RPA 22-CHLOROBENZENEMETHANETHIOLrpano.2renacit1usafcy-4Rpa no. 2
DTXSID1059028NSC-4749RefChem:477060DTXCID9048720202-082-5ThionaphtholRenacit 12-Naphthyl thiol
データベース識別子
- CAS
91-60-1- PubChem CID
- 7058
- DTXSID
DTXSID1059028- ChEBI
CHEBI:173688- UNII
- SZ5U1S741V
- EC Number
- 202-082-5
- Nikkaji
- J60.031H
物性
構造計算による物性補完中
- XLogP
- 3.7
- 極性表面積
- 1 Ų
- 水素結合供与体数
- 1
- 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
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
slightly
slightly soluble in water; soluble in alcohol and ether
(in ethanol)
Boiling Point
286.00 to 288.00 °C. @ 760.00 mm Hg
210.5 °C (100mm Hg)
Melting Point81 °C
Physical Description
Solid
crystals with disagreeable mercaptan-like odour
物理化学的性質
- 融点
- 79 · 79-81 °C (lit.)
- 沸点
- 286 °C · 286 °C (lit.)
- 比重(密度)
- 1.22 · 1.22
- 屈折率
- 1.589 · 1.589-1.591
- FEMA
- 3314 · 3314 | 2-NAPHTHALENTHIOL
- 闪点
- 69 °C · 69 °C
- 貯蔵温度
- Inert atmosphere,Room Temperature
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 304 reports by companies from 3 notifications to the ECHA C&L Inventory.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: 2-Naphthalenethiol
2-Naphthalenethiol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (Oral) - Category 4
安全データ
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QK3930000
- ridadr
- UN 3335
- hs_code
- 29309070
- risk_code
- 22-20/21/22
- 化審法
- (4)-980
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 36/37
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Cellular LocationsMembrane
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Naphthalenethiol: ACTIVE
応用分野
用途ゴムの素練り剤、ナフトチオインジゴ染料の原料、医薬?農薬原料
説明2-Naphthalenthiol has a disagreeable mercaptan-like odor. May be prepared by catalytic hydrogenation of a sulfonic acid derivative of naphthalene; by reduction of naphthalenesulfonyl chloride with zinc.
使用2-Thionaphthol was used in the preparation of cholesterol monolayer and multilayer Langmuir- Blodgett (LB) films. The magnetic resonance shift for a self-assembled monolayer of 2-naphthalenethiol was studied that suggested considerable promise in flexible and transparent photonic devices for biological and chemical sensing.
一般的な説明The magnetic resonance shift for a self-assembled monolayer of 2-naphthalenethiol was studied that suggested considerable promise in flexible and transparent photonic devices for biological and chemical sensing.
調製方法
製造方法By catalytic hydrogenation of a sulfonic acid derivative of naphthalene; by reduction of naphthalenesulfonyl chloride with zinc.
純化方法It is steam volatile. It has to be distilled under Ar or N2, as it oxidises to the disulfide, and crystallises from EtOH. The S-methyl derivative has m 104-105o (from *C6H6/pet ether), and the S-ethyl derivative M 188.2, has m 16o and b 175-170.5o/15mm. The S-acetate has m 53.5o and b 191o/15mm, and the diethylamine salt forms yellow needles m 107o from dioxane. [Beilstein 6 H 657, 6 I 316, 6 II 610, 6 III 3006, 6 IV 4312.]
関連反応
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化合物ノート
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