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2-Phenyldodecane-p-sulfonate

HCID 16649
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
18777-53-2
標準SMILES
CCCCCCCCCCC(C)c1ccc(S(=O)(=O)O)cc1
InChIKey
CJTZDYDOPZRFTF-UHFFFAOYSA-N
分子式
C18H30O3S
平均分子量
326.5 g/mol
単同位体質量
326.19156599

概要

Phenylsulphonic acid appears as fine whitish needles. Solid form may severely irritate skin and eyes. Used to make other chemicals.

名称と識別子

優先名称
2-Phenyldodecane-p-sulfonate
IUPAC
4-dodecan-2-ylbenzenesulfonic acid

名称と別名

C12-2-phenyl-las2-Phenyldodecane-p-sulfonateBenzenesulfonic acid, 4-(1-methylundecyl)-N6X0RZ7OJUUNII-N6X0RZ7OJU18777-53-24-(1-Methylundecyl)benzenesulfonic acidBenzenesulfonic acid, p-(1-methylundecyl)-DTXSID40274021RefChem:89068DTXSID3020041DTXCID30196501
名称をさらに表示
42615-29-24-(dodecan-2-yl)benzene-1-sulfonic acid2-(p-sulphophenyl) dodecaneLinear alkyl benzenesulphonateSCHEMBL4863438NS00006760

データベース識別子

CAS
18777-53-2、42615-29-2
PubChem CID
16649
DTXSID
DTXSID40274021
UNII
N6X0RZ7OJU
EC Number
610-046-9
Nikkaji
J490.283A

物性

構造計算による物性

XLogP
6.7
極性表面積
62.8 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
11
重原子数
22
形式電荷
0
複雑度
364

実験および物理化学的性質

Physical DescriptionPhenylsulphonic acid appears as fine whitish needles. Solid form may severely irritate skin and eyes. Used to make other chemicals.

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

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzenesulfonic acid, alkyl derivs.: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAcids, Strong Oxidizing
Reactivity AlertsKnown Catalytic Activity
Reactivity Profile · 1 件

Oxidizing acids are generally soluble in water with the release of hydrogen ions. The resulting solutions have pH's of less than 7.0. Materials in this group react with chemical bases (for example: amines and inorganic hydroxides) to form salts. These neutralization reactions occur as the base accepts hydrogen ions that the acid donates. Neutralizations can generate dangerously large amounts of heat in small spaces. The dissolution of acids in water or the dilution of their concentrated solutions with water may generate significant heat. The addition of water acids often generates sufficient heat in the small region of mixing to boil some of the water explosively. The resulting "bumping" spatters acid widely. These materials have significant ability as oxidizing agents. but that ability varies (for example, from high for nitric acid to low for sulfuric acid and most sulfonic acids). They can react with active metals, including iron and aluminum, and also many less active metals, to dissolve the metal and liberate hydrogen and/or toxic gases. Like other acids, materials in this group can initiate polymerization in certain classes of organic compounds. Their reactions with cyanide salts and compounds release gaseous hydrogen cyanide. Flammable and/or toxic gases are also often generated by their reactions with dithiocarbamates, isocyanates, mercaptans, nitrides, nitriles, sulfides, and weak or strong reducing agents. Additional gas-generating reactions occur with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), and even carbonates: the carbon dioxide gas from the last is nontoxic but the heat and spattering from the reaction can be troublesome. May often catalyze chemical reactions.

化学と産業

用途と製造

Household ProductsInformation on 71 consumer products that contain Alkyl benzene sulfonate in the following categories is provided:

関連反応

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化合物ノート

読み込み中…

このページの内容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
Air and Water ReactionsSoluble in water. Mixes with water to form a corrosive solution.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: