2-아미노-4-브로모벤존니트릴

2-Amino-4-bromobenzonitrile

HCID 9920636

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 304858-65-9
표준 SMILES: N#Cc1ccc(Br)cc1N
InChIKey: PWJBXJQMHYIRKI-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361

이름 및 식별자

우선 이름: 2-Amino-4-bromobenzonitrile
IUPAC: 2-amino-4-bromobenzonitrile
현지명: 2-아미노-4-브로모벤존니트릴
영어명: 2-Amino-4-bromobenzonitrile
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

2-AMINO-4-BROMOBENZONITRILE304858-65-9DTXSID90432816RefChem:255533DTXCID60383644807-525-1Benzonitrile, 2-amino-4-bromo-2-amino-4-bromo-benzonitrileMFCD08752638SCHEMBL1906136CHEMBL4514868PWJBXJQMHYIRKI-UHFFFAOYSA-N

이름 더 보기

2-아미노-4-브로모벤존니트릴Amino-4-bromobenzonitrile2-Amino-4-bromobenznitril2-amino-4-bromobenznitrile2-Amino-4-bromobenzonitriL2-Amino-4-bromobenxonitrile5-Bromo-2-cyanoaniline, 4-Bromoanthranilonitrile2-AMINO-4-BROMOBENZONITRILE/2-aMino-4-broMobenzonitrile

CL8139AKOS006290546CS-W004831PS-5362SY024326EN300-130275F077493Z1198182208

데이터베이스 식별자

CAS: 304858-65-9
PubChem CID: 9920636
DTXSID: DTXSID90432816
ChEMBL: CHEMBL4514868
EC Number: 807-525-1
Nikkaji: J1.378.757C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 317.8 · 317.8±27.0 °C(Predicted)
밀도: 1.69 · 1.69
굴절률: 1.652 · 1.652
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
산도 계수 (pKa): 0.74 · 0.74±0.10(Predicted)
색상: 연노랑
InChI: InChI=1S/C7H5BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChIKey: PWJBXJQMHYIRKI-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(Br)C=C1N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 4 reports by companies from 4 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.