5-Nitro-2-thenoic acid

HCID 80591CAS 6317-37-9

기본 정보

표준 SMILES: O=C(O)c1ccc([N+](=O)[O-])s1
InChIKey: UNEPVPOHGXLUIR-UHFFFAOYSA-N
분자식: C5H3NO4S
평균 분자량: 173.15 g/mol
단동위원소 질량: 172.97827858

이름 및 식별자

우선 이름: 5-Nitro-2-thenoic acid
IUPAC: 5-nitrothiophene-2-carboxylic acid
영어명: 5-Nitrothiophene-2-carboxylic acid
분자식: C5H3NO4S
분자량: 173.15

이름 및 동의어

5-Nitro-2-thenoic acidEINECS 228-654-4DTXSID40212509NSC 41707RefChem:537414DTXCID20135000228-654-45-Nitrothiophene-2-carboxylic acid6317-37-95-Nitro-2-thiophenecarboxylic acidMFCD001595522-Thiophenecarboxylic acid, 5-nitro-

이름 더 보기

BUTTPARK 121\04-135 - nitro-thiopheneRARECHEM AL BO 05442-Carboxy-5-nitrothiophe2-Carboxy-5-nitrothiophene5-nitro-2-thiophenecarboxylic5-Nitro-2-ThiphenecarboxylicAcid5-Nitrothiophene-2-carboxylicaci5-Nitro-2thiaphene-carboxylic acid

5-Nitro-thiophene-2-carboxylic acidNSC417075-nitrothiophene-2carboxylic acidNSC-41707AKOS000114863CS-W017558PS-4938AI-942/25121047

데이터베이스 식별자

CAS: 6317-37-9
PubChem CID: 80591
DTXSID: DTXSID40212509
UNII: JL3FTQ5YCK
EC Number: 228-654-4
Nikkaji: J206.908C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 111 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 154 · 154-159℃
끓는 점: 367.2 · 367.2±27.0 °C(Predicted)
밀도: 1.676 · 1.676±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 2.69 · 2.69±0.10(Predicted)
물리적 상태: 고체
색상: 옅은 노랑
InChIKey: UNEPVPOHGXLUIR-UHFFFAOYSA-N

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29349990
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도5-Nitrothiophene-2-carboxylic Acid is a reagent used in the preparation of benzothiophene amides which fuctions as nicotinamide ribosyltransferase inhibitors with potential antitumor and anticancer activities. It also functions as an intermediate in varying organic transformations.