3‐クロロプロピオン酸‐2,2,3,3‐D4

3-Chloropropionic acid

HCID 178944950

基本情報

CAS
1219802-17-1
標準SMILES
O=C(O)CCCl
InChIKey
QEYMMOKECZBKAC-UHFFFAOYSA-N
分子式
C3H5ClO2
平均分子量
108.52 g/mol

概要

3-chloropropionic acid appears as a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)

名称と識別子

優先名称
3-Chloropropionic acid
IUPAC
3-chloropropanoic acid
現地名
3‐クロロプロピオン酸‐2,2,3,3‐D4
英語名
3-Chloropropionic--d4 Acid
分子式
C3H5ClO2
分子量
108.52

名称と別名

3-CHLOROPROPIONIC ACID3-Chloropropanoic acid107-94-8Propanoic acid, 3-chloro-Propionic acid, 3-chloro-beta-Chloropropionic acid3-Chloropropanic acidbeta-Monochloropropionic acidDTXSID5021546R5J180FN9ZNSC-174DTXCID701546
名称をさらに表示
3‐クロロプロピオン酸‐2,2,3,3‐D43-クロロプロピオン酸-2,2,3,3-d43-Chloropropionic--d4 Acid3-Chloro(2H4)propanoic acid
RefChem:500519203-534-43-chloro-propionic acid.beta.-Chloropropionic acid.beta.-Monochloropropionic acidMFCD00002764WLN: QV2GHSDB 2053

データベース識別子

CAS
1219802-17-1
ChEMBL
CHEMBL1990700
UNII
R5J180FN9Z
EC Number
203-534-4
Nikkaji
J4.069J

物性

構造計算による物性

XLogP
0.4
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
6

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP0.41
Density · 2 件

1.26 (USCG, 1999) - Denser than water; will sink

DENSITY= 1.198 @ 0 °C/4 °C; BP= 155-157 °C /METHYL ESTER/

Color/Form · 2 件

LEAFLETS FROM PETROLEUM ETHER

CRYSTALS

Solubility · 2 件

FREELY SOL IN WATER, ALC, CHLOROFORM

MISCIBLE WITH ETHER

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

危険有害性情報

Regulatory Information · 3 件

Chemical: Propanoic acid, 3-chloro-

Status: Active Update: 04-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12262

3-Chloropropionic acid: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Contain toxic chloride fumes.
Health HazardsContact may cause skin and eye burns. Harmful if swallowed. (USCG, 1999)
Hazards SummaryEmergency treatment: irritants; [HSDB] May cause burns to skin and eyes; [CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupAcids, Carboxylic

安全と保護具

Fire FightingFire Extinguishing Agents: Small fires: dry chemical, CO2, water spray or foam; large fires: water spray, fog or foam. (USCG, 1999)
First AidEYES OR SKIN: Immediately flush with running water for at least 15 min.; hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site.
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)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity ExcerptsTHE ALPHA-POSITION /OF THE HALOGEN RELATIVE TO BETA-POSITION/ IS ASSOC WITH A MUCH GREATER TOXICITY.
Non-Human Toxicity ExcerptsFOUR ORGANOHALIDES (INCLUDING 3-CHLOROPROPIONIC ACID) PRODUCED ELEVATED LUNG TUMOR RESPONSE WHICH WAS SIGNIFICANT BY STUDENT'S T TEST & THE CHI-2 TEST.

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate; [Hawley]

CHEMICAL INTERMEDIATE

U.S. Exports · 2 件

(1972) No Data

(1975) No Data

U.S. Imports · 2 件

(1972) No Data

(1975) No Data

U.S. Production · 2 件

(1972) No Data

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Methods of Manufacturing · 2 件

OXIDATION OF 3-CHLOROPROPIONALDEHYDE WITH NITRIC ACID

PREPARED BY THE HYDROLYSIS OF ETHYLENE CYANOHYDRIN WITH HYDROCHLORIC ACID; BY THE OXIDATION OF BETA-CHLOROPROPIONALDEHYDE OR OF TRIMETHYLENE CHLOROHYDRIN BY NITRIC ACID. MOUREU, CHAUX, ORG SYN 8, 54 (1928); POWELL, ORG SYN 8, 58 (1928); PAAL, LOBECK, BER 64, 2142 (1931).

General Manufacturing InformationPropanoic acid, 3-chloro-: ACTIVE

応用分野

使用3-Chloropropionic-2,2,3,3-d4 Acid (CAS# 1219802-17-1) is a useful isotopically labeled research compound.

サプライヤー4 社

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]

関連反応

0 件

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…