1-[(4-클로로페닐)옥시]-2-니트로벤젠

1-(4-Chlorophenoxy)-2-nitrobenzene

HCID 3016050

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39145-47-6
표준 SMILES: O=[N+]([O-])c1ccccc1Oc1ccc(Cl)cc1
InChIKey: KVYVAGCVKWBOBS-UHFFFAOYSA-N
분자식: C12H8ClNO3
평균 분자량: 249.65 g/mol
단동위원소 질량: 249.0192708

이름 및 식별자

우선 이름: 1-(4-Chlorophenoxy)-2-nitrobenzene
IUPAC: 1-(4-chlorophenoxy)-2-nitrobenzene
현지명: 1-[(4-클로로페닐)옥시]-2-니트로벤젠
영어명: 1-[(4-Chlorophenyl)oxy]-2-nitrobenzene
분자식: C12H8ClNO3
분자량: 249.65

이름 및 동의어

39145-47-61-(4-Chlorophenoxy)-2-nitrobenzeneEINECS 254-316-0RefChem:425196254-316-02-Nitro-4'-chlorodiphenyl ether1-[(4-chlorophenyl)oxy]-2-nitrobenzeneBenzene, 1-(4-chlorophenoxy)-2-nitro-2-(4-Chlorophenoxy)-1-nitrobenzenep-chlorophenyl-o-nitrophenyl ether2-Nitro-4'-chloro-diphenyl ether2-Nitrophenyl 4-chlorophenyl ether

이름 더 보기

1-[(4-클로로페닐)옥시]-2-니트로벤젠2-Nitro-4`chloro–diphenylethe4'-Chloro-2-nitrodiphenyl etherp-chlorophenyl-o-nitrophenylether

1-Nitro-2-(4-chlorophenoxy)benzeneSCHEMBL6418312-Nitro-4`chloro-diphenyletheSCHEMBL8123557SCHEMBL8123617SCHEMBL81236192-Nitro-4'-chlorodiphenyletherCHEMBL2270122

데이터베이스 식별자

CAS: 39145-47-6
PubChem CID: 3016050
DTXSID: DTXSID8021694
ChEMBL: CHEMBL2270122
EC Number: 254-316-0
Nikkaji: J261.320D

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 261

물리화학적 성질

저장 조건: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C12H8ClNO3/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H
InChIKey: KVYVAGCVKWBOBS-UHFFFAOYSA-N
SMILES: C1(OC2=CC=C(Cl)C=C2)=CC=CC=C1[N+]([O-])=O

화학적 성질

yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

ridadr: UN3077
위험 등급: 9

화학 및 산업

응용 분야 · 1건

용도1-(4-Chlorophenoxy)-2-nitrobenzene is used as a reagent in the synthesis of novel benzamide derivatives containing a diphenyl ether moiety which display good antifungal and insecticidal properties. 1-(4-chlorophenoxy)-2-nitrobenzene also displays fungicidal activity against certain phytopathogenic fungi.