Acetic acid, azido-, ethyl ester

HCID 69480CAS 637-81-0

기본 정보

표준 SMILES: CCOC(=O)CN=[N+]=[N-]
InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
분자식: C4H7N3O2
평균 분자량: 129.12 g/mol
단동위원소 질량: 129.05382646

이름 및 식별자

우선 이름: Acetic acid, azido-, ethyl ester
IUPAC: ethyl 2-azidoacetate
영어명: Ethyl Azidoacetate
분자식: C4H7N3O2
분자량: 129.12

이름 및 동의어

Ethyl azidoacetate637-81-0Azidoacetic acid ethyl esterAcetic acid, azido-, ethyl esterCCRIS 3368EINECS 211-301-3BRN 4247209DTXSID30213101NSC 84132RefChem:316550DTXCID90135592211-301-3

이름 더 보기

azidoacetateazido-aceticaciethylesterDDYSYZETHYL AZIDOACETETHYLAZIDACETATEEthyl azidacetate 97%Cefazolin Impurity 37ethyl 2-azidoethanoate

Ethyl 2-azidoacetateAzido-acetic acid ethyl esterMFCD00190177Acetic acid, 2-azido-, ethyl esterEthylazidoacetateethyl azido-acetateethyl-2-azidoacetateethyl alpha-azidoacetate

데이터베이스 식별자

CAS: 637-81-0
PubChem CID: 69480
DTXSID: DTXSID30213101
EC Number: 211-301-3
Nikkaji: J205.911H

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 40.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 139

물리화학적 성질

끓는 점: 44 · 44-46°C 2mm
밀도: 1.12 g/ml · 1.12g/ml
굴절률: 1.433 to · 1.4330 to 1.4370
인화점: 25 °C · 25 °C
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 기름
색상: 무색~담황색
BRN: 4247209 · 4247209
InChI: InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
SMILES: C(=O)(OCC)CN=[N+]=[N-]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (90.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (90.5%)

안전 데이터

wgk: 2
ridadr: UN 1593 6.1/PG 3
HS 번호: 2929.90.5090
risk_code: 1-40-36/37/38-10-67-65-63-48/20-38-11
hazard_code: Xn,Xi,C,F
safety_code: 7-16-26-35-36-47-62-45-36/37
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant/Corrosive
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Ethyl Azidoacetate is an important organic substance that can undergo cyclisation reactions and is commonly used in the field of chemical synthesis.The condensation of 1-methyl-β-carboline-3-carbaldehyde with ethyl azidoacetate can be used to prepare 2-formylxanthine derivatives[1].