CAS 57800-76-7 Methyl 5-chloro-4-nitrothiophene-2-carboxylate (HCID 13205564)

기본 정보

CAS: 57800-76-7
표준 SMILES: COC(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIKey: IJSXVHIIYIMVTM-UHFFFAOYSA-N
분자식: C6H4ClNO4S
평균 분자량: 221.62 g/mol
단동위원소 질량: 220.9549565

이름 및 식별자

우선 이름: Methyl 5-chloro-4-nitrothiophene-2-carboxylate
IUPAC: methyl 5-chloro-4-nitrothiophene-2-carboxylate
현지명: 5-클로로-4-니트로티오펜-2-카르복실산메틸에스테르
영어명: 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
분자식: C6H4ClNO4S
분자량: 221.62

이름 및 동의어

57800-76-7methyl 5-chloro-4-nitrothiophene-2-carboxylate5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTERMFCD082757182-Thiophenecarboxylic acid, 5-chloro-4-nitro-, methyl estermethyl 5-chloro-4-nitro-thiophene-2-carboxylateSCHEMBL424946IJSXVHIIYIMVTM-UHFFFAOYSA-NAKOS 91745SBB096196AKOS000280439CS-W022357

이름 더 보기

5-클로로-4-니트로티오펜-2-카르복실산메틸에스테르Ethyl 5-chloro-4-nitrothiophene-2-carboxylate5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 95+%

DS-9896AC-29394SY023982DB-001786Methyl 5-chloro-4-nitro-2-thiophenecarboxylateAB00997409-015-Chlor-4-nitro-2-thiophencarbonsaeureMethylesterF386231

데이터베이스 식별자

CAS: 57800-76-7
PubChem CID: 13205564
EC Number: 116-928-5

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 100 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 231

물리화학적 성질

녹는점: 83 · 83-84 °C
끓는 점: 349.3 · 349.3±37.0 °C(Predicted)
밀도: 1.576 · 1.576±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.