CAS 683-60-3 2-Propanol, sodium salt (1:1) (HCID 10920443)

基本情報

CAS: 683-60-3
標準SMILES: CC(C)[O-].[Na+]
InChIKey: WBQTXTBONIWRGK-UHFFFAOYSA-N
分子式: C3H7NaO
平均分子量: 82.08 g/mol
単同位体質量: 82.03945912

名称と識別子

優先名称: 2-Propanol, sodium salt (1:1)
IUPAC: sodium propan-2-olate
英語名: Sodium propan-2-olate
分子式: C3H7NaO
分子量: 83.08

名称と別名

683-60-32-Propanol, sodium salt2-Propanol, sodium salt (1:1)EINECS 211-673-7DTXSID20890521RefChem:89178DTXCID101030453Sodium propan-2-olateSODIUM ISOPROPOXIDEsodium;propan-2-olateMFCD00061566isopropoxysodium

名称をさらに表示

SODIUM I-PROPOXIDEsodiuM propan-2-one2-PropanolsodiumsaltNatriumpropan-2-olat2-propanol,sodiumsaltSodium 1-methylethoxidesodiumisopropoxide,sip,in

iPrONaNaOiPri-PrONaNaO-iPrsodium 2-propoxidesodium isopropanolateNaO-i-PrSCHEMBL5389

データベース識別子

CAS: 683-60-3
PubChem CID: 10920443
DTXSID: DTXSID20890521
EC Number: 211-673-7
Nikkaji: J25.060K

物性

構造計算による物性

極性表面積: 23.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 14.4

実験および物理化学的性質

Chemical ClassesMetals -> Metal Alkoxides

Physical DescriptionWhite to off-white odorless powder; Hygroscopic; [BASF MSDS]

物理化学的性質

融点: 70 · 70-75°C
比重(密度): 0 · 0,9 g/cm3
屈折率: 1.409 · 1.409
闪点: -19 °C · -19°C
溶解性: テトラヒドロフランに可溶。
外見: 結晶性
比重: 0.9 · 0.90
CAS データベース: 683 · 683-60-3(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Propanol, sodium salt (683-60-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (16.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P235, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 Information · 2 件

Chemical: 2-Propanol, sodium salt

Status: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24654

Hazards SummaryReacts violently with water and moist air evolving sodium hydroxide and isopropyl alcohol; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [BASF MSDS] See Sodium hydroxide and Isopropyl alcohol.

Hazard Classes and CategoriesFlam. Liq. 2 (16.7%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

tsca: TSCA listed
ridadr: 2925
risk_code: 11-34-41
safety_code: 16-26-43-45-36/37/39-27
hazard_class: 4.2
packing_group: II

化学と産業

用途と製造

UsesUsed for deprotonations and base-catalyzed reactions; [BASF MSDS]

General Manufacturing Information2-Propanol, sodium salt (1:1): ACTIVE

応用分野 · 1 件

使用Sodium isopropoxide is used in the preparation of ibuprofen intermediate. It is involved in reactions such as polymerization of butadiene. Further, it acts as a catalyst in the manufacturing of acetone and its derivatives. In addition, it is used as a solvent and serves as an antiseptic.