CAS 25474-85-5 4-Methoxybenzyl azidoformate (HCID 117521)

기본 정보

CAS: 25474-85-5
표준 SMILES: COc1ccc(COC(=O)N=[N+]=[N-])cc1
InChIKey: NQBRFIXRZDTIRQ-UHFFFAOYSA-N
분자식: C9H9N3O3
평균 분자량: 207.19 g/mol
단동위원소 질량: 207.06439115

이름 및 식별자

우선 이름: 4-Methoxybenzyl azidoformate
IUPAC: (4-methoxyphenyl)methyl N-diazocarbamate
영어명: 4-Methoxybenzyloxycarbonyl azide
분자식: C9H9N3O3
분자량: 207.19

이름 및 동의어

4-Methoxybenzyl azidoformateEINECS 247-017-1DTXSID00180159NSC 139023RefChem:524739DTXCID60102650247-017-125474-85-54-Methoxybenzyloxycarbonyl azide(4-methoxyphenyl)methyl N-diazocarbamateCarbonazidic acid, (4-methoxyphenyl)methyl esterp-Methoxybenzylazidoformate

이름 더 보기

NSC-1390234-Methoxybenzyl carbonazidate4-Methoxybenzyloxyformic acid azideAzidoformic acid p-methoxybenzyl ester(4-methoxyphenyl)methylN-diazocarbamateAzidoformic acid (4-methoxyphenyl)methyl ester

4-methoxybenzyloxycarbonylazidep-methoxybenzyloxycarbonylazidep-methoxybenzyloxycarbonyl azide(p-methoxybenzyloxycarbonyl)azideSCHEMBL20548445p-methoxybenzyloxy-car-bonyl azide(4-Methoxyphenyl)methyl carbonazidateAKOS015889218

데이터베이스 식별자

CAS: 25474-85-5
PubChem CID: 117521
DTXSID: DTXSID00180159
EC Number: 247-017-1
Nikkaji: J250.474J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 49.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 30 · 30-32 °C (lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: powder
InChI: 1S/C9H9N3O3/c1-14-8-4-2-7(3-5-8)6-15-9(13)11-12-10/h2-5H,6H2,1H3
InChIKey: NQBRFIXRZDTIRQ-UHFFFAOYSA-N
SMILES: COc1ccc(COC(=O)N=[N+]=[N-])cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesOx. Sol. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1479 5.1/PG 2
risk_code: 5-20/21/22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralOx. Sol. 2
스토리지 클래스: 5.1B - Oxidizing hazardous materials