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N-シクロヘキシル-p-トルエンスルホンアミド

N-Cyclohexyl-4-methylbenzenesulfonamide

HCID 6633
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
80-30-8
標準SMILES
Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIKey
DKYVVNLWACXMDW-UHFFFAOYSA-N
分子式
C13H19NO2S
平均分子量
253.36 g/mol
単同位体質量
253.11365002

概要

Yellowish-brown fused mass or white crystalline solid. Little or no odor. (NTP, 1992)

名称と識別子

優先名称
N-Cyclohexyl-4-methylbenzenesulfonamide
IUPAC
N-cyclohexyl-4-methylbenzenesulfonamide
現地名
N-シクロヘキシル-p-トルエンスルホンアミド
英語名
N-Cyclohexyl-4-methylbenzenesulfonamide
分子式
C13H19NO2S
分子量
253.36

名称と別名

80-30-8N-Cyclohexyl-p-toluenesulfonamideN-CYCLOHEXYL-4-METHYLBENZENESULFONAMIDESanticizer 1HBenzenesulfonamide, N-cyclohexyl-4-methyl-CCRIS 6008DTXSID1024885UNII-0QPV1AE9EM0QPV1AE9EMAI3-15119EINECS 201-268-3NSC 14856
名称をさらに表示
N-シクロヘキシル-p-トルエンスルホンアミドN-トシルシクロヘキサンアミンN-トシルシクロヘキシルアミンN-シクロヘキシル-4-メチルベンゼンスルホンアミドN-シクロヘキシル-4-メチルベンゼン-1-スルホンアミドBenzenesulfsanticizer1hTIMTEC-BB SBB006339N-Cyclohexyl-4-methyN-Tosylcyclohexylamine(tosylamino)cyclohexaneN-Tosylcyclohexaneaminen-cyclohexyl-p-toluenesulfonamid
BRN 2698317N-Cyclohexyl-4-methyl benzenesulfonamideNSC-14856DTXCID404885N-Cyclohexyl-4-toluenesulfonamide3-12-00-00061 (Beilstein Handbook Reference)4-Toluenesulfonamide, N-cyclohexyl-KETJENFLEX 1H

データベース識別子

CAS
80-30-8
PubChem CID
6633
DTXSID
DTXSID1024885
ChEMBL
CHEMBL1371652
UNII
0QPV1AE9EM
EC Number
201-268-3
Nikkaji
J47.565C

物性

構造計算による物性

XLogP
3.1
極性表面積
54.6 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
17
形式電荷
0
複雑度
320

実験および物理化学的性質

Densitygreater than 1.00 at 68 °F (NTP, 1992)
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Melting Point183 to 185 °F (NTP, 1992)
Vapor Pressureless than 1 mmHg at 68 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionYellowish-brown fused mass or white crystalline solid. Little or no odor. (NTP, 1992)

物理化学的性質

融点
84 · 84-85°C
沸点
350 °C · 350°C
比重(密度)
1.1414 · 1.1414 (rough estimate)
屈折率
1.68 · 1.6800 (estimate)
闪点
350 °C · 350°C
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
12.05 · 12.05±0.20(Predicted)
水溶解度
0.1 g/100 · <0.1 g/100 mL で 21 ºC
BRN
2698317 · 2698317
安定性
安定。強力な酸化剤とは相容れない。
LogP
3.367 · 3.367 (est)
CAS データベース
80 · 80-30-8(CAS DataBase Reference)
NISTの化学物質情報
4 · 4-Toluenesulfonamide, n-cyclohexyl-(80-30-8)
EPAの化学物質情報
-4 · N-Cyclohexyl-4-methylbenzenesulfonamide (80-30-8)

化学的性質

化学的特性white or yellowish solid

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 · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: Benzenesulfonamide, N-cyclohexyl-4-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this compound is not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

安全データ

tsca
TSCA listed
rtecs
XT5617000
hs_code
2935.90.9500
化審法
(3)-2481
safety_code
22-24/25

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonamide, N-cyclohexyl-4-methyl-: INACTIVE

応用分野

用途有機合成原料。

一般的な説明Yellowish-brown fused mass or white crystalline solid. Little or no odor.

上流・下流製品情報

上流原料

Benzenesulfonic acid, 4-methyl-, 1H-benzotriazol-1-yl esterシクロヘキシルトリフルオロほう酸カリウムp-トルエンスルホニル ヒドラジド[N-(P-トルエンスルホニル)イミノ]フェニルイオジーナネp-トルエンスルホニルクロリドp-メチルベンゼンスルホニルアザイドp-トルエンスルフィン酸ナトリウムp-トルエンスルホンアミドシクロヘキセントルエン-4-スルホン酸シクロヘキサノールシクロヘキシルアミン

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