CAS 14337-43-0 Ethyl chloro(hydroximino)acetate (HCID 6816376)

이름 및 식별자

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

이름 및 동의어

ethyl chloro(hydroximino)acetateECl(HI)A cpdRefChem:594278Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-0Ethyl 2-chloro-2-hydroxyiminoacetateMFCD00010209Acetic acid, chloro(hydroxyimino)-, ethyl esterEthyl chloro(hydroxyimino)acetateethylcloro(hydroximino)acetateSCHEMBL391371ethyl chloro-(hydroximino)acetate

이름 더 보기

ethyl (Z)-2-chloro-2-(hydroxyimino)acetateCHLOROOXIMEETHYL CHLOROOXIMIDOACETATEAKOS MSC-0743ZERENEX ZX011529Ethyl 2-chloro-2-(TIMTEC-BB SBB009890ETHYLCHLOROXIMIDOACETATE

UXOLDCOJRAMLTQ-UHFFFAOYSA-NDTXSID101035958ethyl 2-chloro-2-hydroximinoacetateAKOS015995567ethyl 2-chloro-2-hydroxyimino-acetateethyl-2-chloro-2-hydroxyimino-acetateSB67343ethyl 2-chloro-2 (hydroxyimino)acetate

데이터베이스 식별자

CAS: 14337-43-0
PubChem CID: 6816376
DTXSID: DTXSID101035958
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 · 5건

Danger

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (95.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Dam. 1 (97.9%)；Resp. Sens. 1 (95.7%)；STOT SE 3 (95.7%)

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