(S)-(+)-Glycidyl-4-nitrobenzoate

HCID 10868995

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 118712-60-0
표준 SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1
InChIKey: CXYDYDCHYJXOEY-QMMMGPOBSA-N
분자식: C9H9NO6S
평균 분자량: 259.24 g/mol
단동위원소 질량: 259.01505818

이름 및 식별자

우선 이름: (S)-(+)-Glycidyl-4-nitrobenzoate
IUPAC: [(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate
영어명: (S)-(+)-Glycidyl-4-nitrobenzenesulfonate
분자식: C9H9NO6S
분자량: 259.24

이름 및 동의어

118712-60-0(S)-(+)-Glycidyl-4-nitrobenzoateRefChem:407635801-636-9(S)-oxiran-2-ylmethyl 4-nitrobenzenesulfonate(S)-(+)-Glycidyl-4-nitrobenzenesulfonate(S)-Glycidyl 4-Nitrobenzenesulfonate[(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonateBenzenesulfonic acid,4-nitro-, (2S)-2-oxiranylmethyl esterMFCD08460170S-Glycidyl nosylate(S)-Glycidyl-4-nosylate

이름 더 보기

(S)-Glycidil-4-Nosylate(2S)-(+)-GLYCIDYL 4-NITROBENZOATE(S)-Glycidyl4-Nitrobenzenesulfonate>(S)-(+)-GLYCIDYL-4-NITRO BENZENESULFONATE(S)-(+)-GLYCIDYL-4-NITRO BENZENESULFONATE 99+%

(S)-(+)-Glycidyl-4-nitro benzenesulfonate4-Nitrobenzenesulfonic Acid (S)-Glycidyl EsterSCHEMBL1164097Benzenesulfonic acid, 4-nitro-, (2S)-oxiranylmethyl esterCXYDYDCHYJXOEY-QMMMGPOBSA-NAKOS015890571FG33690AC-18293

데이터베이스 식별자

CAS: 118712-60-0
PubChem CID: 10868995
EC Number: 801-636-9
Nikkaji: J967.766F

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 110 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 375

물리화학적 성질

녹는점: 60 · 60-62 °C(lit.)
끓는 점: 440.3 · 440.3±20.0 °C(Predicted)
밀도: 1.527 · 1.527±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: slightly sol. in Chloroform
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C9H9NO6S/c11-10(12)7-1-3-9(4-2-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1
InChIKey: CXYDYDCHYJXOEY-QMMMGPOBSA-N
SMILES: C1(S(OC[C@@H]2CO2)(=O)=O)=CC=C([N+]([O-])=O)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H228 (50%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.