CAS 14337-43-0 Ethyl 2-chloro-2-(hydroxyimino)acetate (HCID 6399471)

이름 및 식별자

우선 이름: Ethyl 2-chloro-2-(hydroxyimino)acetate
IUPAC: ethyl (2E)-2-chloro-2-hydroxyiminoacetate
영어명: 2-Chloro-2-hydroxyiminoacetic acid ethyl ester
분자식: C4H6ClNO3
분자량: 151.55

이름 및 동의어

Ethyl 2-chloro-2-(hydroxyimino)acetate861135-87-714337-43-0ethyl (2E)-2-chloro-2-hydroxyiminoacetateEthyl(E)-2-chloro-2-(hydroxyimino)acetate(Z)-ethyl 2-chloro-2-(hydroxyimino)acetateethyl (E)-2-chloro-2-(hydroxyimino)acetate(E)-ETHYL 2-CHLORO-2-(HYDROXYIMINO)ACETATEEthylchloroximidoacetateSCHEMBL391370AKOS005257209AC-23193

이름 더 보기

CHLOROOXIMEETHYL CHLOROOXIMIDOACETATEEthyl chloro(hydroxyimino)acetateAKOS MSC-0743ZERENEX ZX011529Ethyl 2-chloro-2-(TIMTEC-BB SBB009890

AS-42683alpha-Chloroglyoxalic Acid Ethyl Ester OximeCS-0172248ethyl (2E)-2-chloro-2-hydroxyimino-acetateethyl (Z)-2-chloro-2-(hydroxyimino)acetate(E)-ETHYL2-CHLORO-2-(HYDROXYIMINO)ACETATE2-Chloro-2-(hydroxyimino)acetic Acid Ethyl EsterF696118

데이터베이스 식별자

CAS: 14337-43-0
PubChem CID: 6399471
EC Number: 604-347-4

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 58.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 70 · 70-76 °C (lit.)
끓는 점: 230.5 · 230.5±23.0 °C(Predicted)
밀도: 1.36 · 1.36±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 7.6 · 7.60±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 606193 · 606193
InChI: InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3
InChIKey: UXOLDCOJRAMLTQ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Cl)=NO

화학적 성질

off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 29280000
risk_code: 37/38-41-42/43-36/37/38
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39-45-36
위험 등급: 9
F 고인화성물질: 10-19-21

화학 및 산업

응용 분야 · 1건

용도Ethyl 2-chloro-2-(hydroxyimino)acetate has been used:in the preparation of (+)-and ()-Δ2-isoxazolinesin the synthesis of CIP-AS (), a chiral amino acid structurally related to glutamic acid, potential agonist at the ionotropic (±±)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid (AMPA)-kainate receptorsto generate ethoxycarbonylformonitrile oxide, in situ by treatment with sodium bicarbonateto prepare N-azirdinyloximes which on treatment with scandium triflate (418218) provide dihydro-oxadiazines