3-브로모벤지드라지드

m-Bromobenzohydrazide

HCID 520941CAS 39115-96-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)c1cccc(Br)c1
InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N
분자식: C7H7BrN2O
평균 분자량: 215.05 g/mol
단동위원소 질량: 213.97418

이름 및 식별자

우선 이름: m-Bromobenzohydrazide
IUPAC: 3-bromobenzohydrazide
현지명: 3-브로모벤지드라지드
영어명: 3-Bromobenzhydrazide
분자식: C7H7BrN2O
분자량: 215.05

이름 및 동의어

3-Bromobenzhydrazide39115-96-3m-BromobenzohydrazideBenzoic acid, 3-bromo-, hydrazide(m-Bromobenzoyl)hydrazine3-Bromobenzoic acid hydrazide(3-Bromobenzoyl)hydrazineEINECS 254-298-44UW6VH27M7Benzoic acid, m-bromo-, hydrazideM-BROMOBENZOYL HYDRAZIDE3-BROMOBENZOYL HYDRAZIDE

이름 더 보기

3-브로모벤지드라지드AKOS B020281Nifuroxazide ImpurityNifuroxazide Impurity 1Nifuroxazide Impurity 5m-Bromobenzoic hydrazide3-Bromobenzhydrazide 98%

DTXSID90192367RefChem:800350DTXCID00114858254-298-43-Bromobenzohydrazide3-Bromobenzoic hydrazideMFCD000076003-bromobenzoylhydrazine

데이터베이스 식별자

CAS: 39115-96-3
PubChem CID: 520941
DTXSID: DTXSID90192367
UNII: 4UW6VH27M7
EC Number: 254-298-4
Nikkaji: J261.311E

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: 151

물리화학적 성질

녹는점: 157 · 157-159 °C (lit.)
밀도: 1.615 · 1.615±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 11.86 · 11.86±0.10(Predicted)
색상: 흰색에서 거의 흰색
수용성: 물에 약간 용해됨(3.7g/L)(25°C)
BRN: 1945814 · 1945814
InChI: 1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccc(Br)c1

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 (95.6%): 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 45 reports by companies from 5 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 (95.6%)

안전 데이터

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

화학 및 산업

응용 분야

용도3-Bromobenzhydrazide is used to produce 5-(3-bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction will need reagent potassium hydroxide and solvent ethanol.