2-ナフタレンチオール

2-Naphthalenethiol

HCID 7058CAS 91-60-1

基本情報

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

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

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 · 3 件

slightly

slightly soluble in water; soluble in alcohol and ether

(in ethanol)

Boiling Point · 2 件

286.00 to 288.00 °C. @ 760.00 mm Hg

210.5 °C (100mm Hg)

Melting Point81 °C
Physical Description · 2 件

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

化学的性質

化学的特性Almost white to cream powder

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 2 件

Chemical: 2-Naphthalenethiol

2-Naphthalenethiol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

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

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 5 件

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 · 4 件

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 · 2 件

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.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

関連反応

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