4-브로모벤지드라지드

4-Bromobenzohydrazide

HCID 22219CAS 5933-32-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)c1ccc(Br)cc1
InChIKey: UYIMBYKIIMYFPS-UHFFFAOYSA-N
분자식: C7H7BrN2O
평균 분자량: 215.05 g/mol
단동위원소 질량: 213.97418

이름 및 식별자

우선 이름: 4-Bromobenzohydrazide
IUPAC: 4-bromobenzohydrazide
현지명: 4-브로모벤지드라지드
영어명: 4-Bromobenzhydrazide
분자식: C7H7BrN2O
분자량: 215.05

이름 및 동의어

4-BromobenzohydrazideUYIMBYKIIMYFPS-UHFFFAOYSA-RefChem:520466227-681-9InChI=1/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)5933-32-44-Bromobenzhydrazide4-Bromobenzoic hydrazidep-Bromobenzhydrazide4-Bromobenzoic acid hydrazidep-Bromobenzoic acid hydrazideBenzoic acid, 4-bromo-, hydrazide

이름 더 보기

4-브로모벤지드라지드P-BROMOBENZOYLHYDRAZINE4-Bromobenzohydrazide >4-Bromobenzhydrazide, 98+%p-bromo-benzoicacihydrazide

4-BromobenzoylhydrazineMFCD00007602BENZOIC ACID, p-BROMO-, HYDRAZIDE4-bromobenzenecarbohydrazidep-BromobenzohydrazideNSC60114NSC-60114(p-Bromobenzoyl)hydrazine

데이터베이스 식별자

CAS: 5933-32-4
PubChem CID: 22219
DTXSID: DTXSID80208062
ChEMBL: CHEMBL124433
UNII: ZB65YY5L9G
EC Number: 227-681-9
Nikkaji: J41.209K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 143

물리화학적 성질

녹는점: 167 · 167-169°C
밀도: 1.615 · 1.615±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 가루
산도 계수 (pKa): 12.09 · 12.09±0.10(Predicted)
색상: 라이트 베이지
수용성: 뜨거운 메탄올에 용해됩니다(거의 투명함). 물에 약간 용해됩니다.
BRN: 777006 · 777006
InChI: InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: UYIMBYKIIMYFPS-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(Br)C=C1

화학적 성질

Light beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 6 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 CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

안전 데이터

wgk: 3
rtecs: DG4449250
HS 번호: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Bromobenzoic hydrazide has been used in the preparation of {2-[1-oxo-3-(4-bromophenyl)-2-propenyl]hydrazide}-4-bromobenzoic acid, {2,2-[1,4-phenylenebis(1-oxo-2-propene-3,1-diyl)]dihydrazide}-p-bromobenzoic acid and substituted period[1,2-a]pyrimidine-2,4(3H)-diones (PPMDO).