2-니트로-4-메틸술포닐톨루엔

4-Mesyl-2-nitrotoluene

HCID 687125

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1671-49-4
표준 SMILES: Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]
InChIKey: OXBDLEXAVKAJFD-UHFFFAOYSA-N
분자식: C8H9NO4S
평균 분자량: 215.23 g/mol
단동위원소 질량: 215.02522877

이름 및 식별자

우선 이름: 4-Mesyl-2-nitrotoluene
IUPAC: 1-methyl-4-methylsulfonyl-2-nitrobenzene
현지명: 2-니트로-4-메틸술포닐톨루엔
영어명: 2-Nitro-4-methylsulfonyltoluene
분자식: C8H9NO4S
분자량: 215.23

이름 및 동의어

2-Nitro-4-methylsulfonyltoluene1-methyl-4-(methylsulfonyl)-2-nitrobenzene4-Mesyl-2-nitrotolueneEC 430-550-0RefChem:524404430-550-0605-469-01671-49-44-Methylsulfonyl-2-nitrotolueneBenzene, 1-methyl-4-(methylsulfonyl)-2-nitro-1-methyl-4-methylsulfonyl-2-nitrobenzeneMFCD00047808

이름 더 보기

2-니트로-4-메틸술포닐톨루엔2-Nitro-4-methylsulfO -of Methyl p-tolyl sulfoneMETHYL 3-NITRO-P-TOLYL SULFONE4-Methy-2-Nitrosulfonyl Toluene4-mesyl-1-methyl-2-nitro-benzene2-Nitro-4-Methylsulfonyl BenzeneO-NITRO-P-METHYL SULFONYL TOLUENE

DTXSID303507424-(Methylsulfonyl)-2-nitrotoluenemethyl 4-methyl-3-nitrophenyl sulfone1-methyl-4-methylsulfonyl-2-nitro-benzeneSCHEMBL994972SCHEMBL17347342SCHEMBL29397077ALBB-024733

데이터베이스 식별자

CAS: 1671-49-4
PubChem CID: 687125
DTXSID: DTXSID30350742
EC Number: 430-550-0、605-469-0
Nikkaji: J3.595.742A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 120 · 120-121°C
끓는 점: 387.8 · 387.8±42.0 °C(Predicted)
밀도: 1.35 · 1.350±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: Sealed in dry,Room Temperature
수용성: 370 mg/L · 370mg/L at 25℃
LogP: 0.93 at · 0.93 at 20℃

화학적 성질

white powdery crystal

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)