CAS 10147-36-1 1-Propanesulfonyl chloride (HCID 66279)

名称と識別子

優先名称: 1-Propanesulfonyl chloride
IUPAC: propane-1-sulfonyl chloride
現地名: 1-プロパンスルホニルクロリド
英語名: 1-Propanesulfonyl chloride
分子式: C3H7ClO2S
分子量: 142.6

名称と別名

1-Propanesulfonyl chloridePropanesulfonyl chloridePropanesulphonyl chloriden-propanesulfonyl chlorideMHH8GN4LBVn-propanesulphonyl chloride1-propanesulphonyl chlorideEINECS 233-414-7DTXSID4064973PROPAN-1-SULFONYL CHLORIDEPROPAN-1-SULPHONYL CHLORIDERefChem:77140

名称をさらに表示

1-プロパンスルホニルクロリドプロパン-1-スルホン酸クロリドプロパン-1-スルホニルクロリド1-プロパンスルホン酸クロリドPROPANE SULFONYL CHLORIDETirofiban Impurity 73Propyl sulfonyl chloride1-PropanesulfonylChloride>Propane-1-sulphonyl chloridePropanesulphonyl chloride，>98%1-Propanesulfonyl chloride,99%

DTXCID2032639InChI=1/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1HKPBSJEBFALFJTO-UHFFFAOYSA-NPropane-1-sulfonyl chloride10147-36-11-Propane Sulfonyl Chloridepropylsulfonyl chlorideMFCD00007462

データベース識別子

CAS: 10147-36-1
PubChem CID: 66279
DTXSID: DTXSID4064973
UNII: MHH8GN4LBV
EC Number: 233-414-7
Nikkaji: J192.746I

物性

構造計算による物性

XLogP: 1.3
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 120

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: -37 °C · -37 °C
沸点: 78 · 78-79 °C/15 mmHg (lit.)
比重(密度): 1.267 g/mL · 1.267 g/mL at 25 °C (lit.)
蒸気密度: 4.9 · 4.9 (vs air)
屈折率: 20 · n20/D 1.453(lit.)
闪点: 176 °F · 176 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Colorless to Light yellow
水溶解度: 熱湯で分解します。
BRN: 1747500 · 1747500
InChI: 1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
InChIKey: KPBSJEBFALFJTO-UHFFFAOYSA-N
SMILES: CCCS(Cl)(=O)=O
CAS データベース: 10147 · 10147-36-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Propanesulfonyl chloride(10147-36-1)
EPAの化学物質情報: 1 · 1-Propanesulfonyl chloride (10147-36-1)

化学的性質

化学的特性Light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 19-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30670

1-Propanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1C (100%)

安全データ

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 14-34-36-R36-R34-R14
安衛法: 変異原性物質
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45-S45-S36/37/39-S26
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing Information1-Propanesulfonyl chloride: ACTIVE

応用分野 · 2 件

説明1-Propanesulfonyl chloride is a highly reactive sulfonyl chloride derivative that is highly hygroscopic. It is primarily used as a pharmaceutical intermediate or an organic synthesis reagent in the preparation of sulfonamide drugs, such as abrocitinib and vemurafenib.

使用1-Propanesulfonyl chloride was used in synthesis of 1-alkyl-3-methylimidazolium alkanesulfonate ionic liquids.