m-Anisohydrazide

HCID 79848CAS 5785-06-8

기본 정보

표준 SMILES: COc1cccc(C(=O)NN)c1
InChIKey: VMZSDAQEWPNOIB-UHFFFAOYSA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.07422756

이름 및 식별자

우선 이름: m-Anisohydrazide
IUPAC: 3-methoxybenzohydrazide
영어명: 3-Methoxybenzhydrazide
분자식: C8H10N2O2
분자량: 166.18

이름 및 동의어

3-Methoxybenzhydrazide3-Methoxybenzohydrazidem-Anisic hydrazidem-Anisohydrazide3-methoxybenzenecarbohydrazide2VLT2WS4TYm-methoxybenzohydrazidem-Methoxy benzhydrazideDTXSID60206561M-METHOXYBENZOYLHYDRAZIDEM-METHOXYBENZOIC HYDRAZIDEEINECS 227-310-0

이름 더 보기

AKOS B0202803-Anisic hydrazideM-ANISOYLHYDRAZINELABOTEST-BB LT00451969m-Anisic hydrazide 98%3-METHOXYBENZOYLHYDRAZINE

M-METHOXYBENZOIC ACID HYDRAZIDERefChem:154858DTXCID90129052227-310-0InChI=1/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11VMZSDAQEWPNOIB-UHFFFAOYSA-N5785-06-8MFCD00007601

데이터베이스 식별자

CAS: 5785-06-8
PubChem CID: 79848
DTXSID: DTXSID60206561
UNII: 2VLT2WS4TY
EC Number: 227-310-0
Nikkaji: J150.059G

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

실험 및 물리화학적 성질

LogP0.4

물리화학적 성질

녹는점: 93 · 93-95 °C (lit.)
밀도: 1.178 · 1.178±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 12.21 · 12.21±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 회색, 갈색까지
BRN: 2092135 · 2092135
InChI: 1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey: VMZSDAQEWPNOIB-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C(=O)NN

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도m-Anisic hydrazide has been used in the preparation of Schiff base ligands:(5-chlorosalicylaldehyde furan-1-carbohydrazonato) hexamethylphosphoramide dioxomolybdenum (VI) dimethylformamide solvate5-chlorosalicylaldehyde 3-methoxy-benzo hydrazone(5-chlorosalicylaldehyde 3-methoxy-benzylhydrazonato) dimethylsulfoxide dioxomolybdenum (VI)