4'-클로로-비펜일-2-일라민

2-Amino-4'-chlorobiphenyl

HCID 262261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1204-44-0
표준 SMILES: Nc1ccccc1-c1ccc(Cl)cc1
InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
분자식: C12H10ClN
평균 분자량: 203.67 g/mol
단동위원소 질량: 203.050177

이름 및 식별자

우선 이름: 2-Amino-4'-chlorobiphenyl
IUPAC: 2-(4-chlorophenyl)aniline
현지명: 4'-클로로-비펜일-2-일라민
영어명: 4'-Chloro-biphenyl-2-ylamine
분자식: C12H10ClN
분자량: 203.67

이름 및 동의어

2-amino-4'-chlorobiphenylRefChem:463963601-706-71204-44-04'-Chloro-[1,1'-biphenyl]-2-amine4'-Chloro-biphenyl-2-ylamine2-(4-chlorophenyl)aniline4'-chlorobiphenyl-2-ylamineMFCD034246594'-chloro[1,1'-biphenyl]-2-amine4'-chlorobiphenyl-2-amineNSC95712

이름 더 보기

4'-클로로-비펜일-2-일라민AKOS BAR-0110Boscalid Impurity 1Boscalid Intermediate4 Chlorobiphenyl Amine4-chloro-2-aminobiphenyl4'-chloro-2-aminebiphenyl4'-chloro-biphenyl-2ylamie

MLS002695317NSC-95712SMR001561223SY1070384'-Chloro-2-biphenylamine4'-Chloro-Biphenyl-2-yl Amine4'-Chloro-[1,1'-biphenyl]-2-amine; 4'-Chloro-2-biphenylamine; 2-Amino-4'-chlorobiphenyl; 4'-Chloro-1,1'-biphenyl-2-amine; NSC 957124'-Chloro-bip

데이터베이스 식별자

CAS: 1204-44-0
PubChem CID: 262261
DTXSID: DTXSID40923380
ChEMBL: CHEMBL1868314
EC Number: 601-706-7
Nikkaji: J1.270.739H

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 45 to · 45.0 to 49.0 °C
끓는 점: 334.6 · 334.6±17.0 °C(Predicted)
밀도: 1.205 · 1.205±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.26 · 3.26±0.10(Predicted)
색상: 미색부터 페일 베이지까지
InChI: InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2
InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Cl)C=C2)=CC=CC=C1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도4''-Chlorobiphenyl-2-ylamine is used as a reagent in the synthesis of Boscalid (B675850); a fungicide belonging to the class of carboxamides. Boscalid acts by inhibiting spore germination and germ tube elongation, and is also effective on all other stages of fungal development. Boscalid is used in the agriculture to protect crops from gray mold, powdery mildew, and other fungus.