9-에틸-3-nitrocarbazole

9-ethyl-3-nitro-9H-carbazole

HCID 66573CAS 86-20-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIKey: WONHLSYSHMRRGO-UHFFFAOYSA-N
분자식: C14H12N2O2
평균 분자량: 240.26 g/mol
단동위원소 질량: 240.08987762

이름 및 식별자

우선 이름: 9-ethyl-3-nitro-9H-carbazole
IUPAC: 9-ethyl-3-nitrocarbazole
현지명: 9-에틸-3-nitrocarbazole
영어명: 9-Ethyl-3-nitrocarbazole
분자식: C14H12N2O2
분자량: 240.26

이름 및 동의어

9-Ethyl-3-nitrocarbazole9-Ethyl-3-nitro-9H-carbazole9H-Carbazole, 9-ethyl-3-nitro-n-Ethyl-3-NitrocarbazoleUNII-00X39KP0ASDTXSID0044995NSC 17817NSC-1781700X39KP0ASEINECS 201-655-7DTXCID80249956-NITRO-9-ETHYLCARBAZOLE

이름 더 보기

9-에틸-3-nitrocarbazole9-ethyl-3-nitro-9h-carbazol3-Nitro-9-ethyl-9H-carbazole9H-Carbazole,9-ethyl-3-nitro-9-Ethyl-3-nitrocarbazole in toluene

RefChem:107886201-655-7WONHLSYSHMRRGO-UHFFFAOYSA-N86-20-43-Nitro-N-Ethyl carbazole3-Nitro-N-ethylcarbazole3-Nitro-9-ethylcarbazoleMFCD00022215

데이터베이스 식별자

CAS: 86-20-4
PubChem CID: 66573
DTXSID: DTXSID0044995
ChEMBL: CHEMBL1366879
UNII: 00X39KP0AS
EC Number: 201-655-7
Nikkaji: J36.856C

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 50.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 328

실험 및 물리화학적 성질

Collision Cross Section152.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044995]

물리화학적 성질

녹는점: 128 · 128-130 °C (lit.)
끓는 점: 362.3 · 362.3±24.0 °C(Predicted)
밀도: 1.35 g/cm3 · 1.35 g/cm3
Henry's Law Constant: 3.3 · 3.3×102 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
InChIKey: WONHLSYSHMRRGO-UHFFFAOYSA-N
SMILES: N1(CC)C2=C(C=CC=C2)C2=C1C=CC([N+]([O-])=O)=C2
EPA: 9 H-Carbazole, · 9H-Carbazole, 9-ethyl-3-nitro- (86-20-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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.

안전 데이터

wgk: 3
tsca: TSCA listed
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information9H-Carbazole, 9-ethyl-3-nitro-: ACTIVE

응용 분야

일반 설명9-Ethyl-3-nitrocarbazole can be prepared from 9-ethyl carbazole via nitration. Its crystals exhibit triclinic crystal system.

상·하류 제품 정보

상류 원료

하류 제품

Propargite E.C.프로파지트 3-Amino-9-ethylcarbazole

공급사50 곳

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