4-디메틸아미노-2-니트로벤잘데하이드97

4-Dimethylamino-2-nitrobenzaldehyde

HCID 291352CAS 56670-20-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)c1ccc(C=O)c([N+](=O)[O-])c1
InChIKey: DHLFXZQEAWYQLC-UHFFFAOYSA-N
분자식: C9H10N2O3
평균 분자량: 194.19 g/mol
단동위원소 질량: 194.06914218

이름 및 식별자

우선 이름: 4-Dimethylamino-2-nitrobenzaldehyde
IUPAC: 4-(dimethylamino)-2-nitrobenzaldehyde
현지명: 4-디메틸아미노-2-니트로벤잘데하이드97
영어명: 4-Dimethylamino-2-nitrobenzaldehyde 97
분자식: C9H10N2O3
분자량: 194.19

이름 및 동의어

4-Dimethylamino-2-nitrobenzaldehydeDTXSID10303079RefChem:522520DTXCID90254212623-497-14-(dimethylamino)-2-nitrobenzaldehyde56670-20-3NSC1565464-DIMETHYLAMINO-2-NITROBENZALDEHYDE 974-dimethylamino-2-nitro-benzaldehydeMFCD034271654-(dimethylamino)-2-nitro-benzaldehyde

이름 더 보기

4-디메틸아미노-2-니트로벤잘데하이드974-Dimethylamino-2-nitrobenzaldehyde 97

2-nitro-4-dimethylaminobenzaldehydeSCHEMBL1647170DHLFXZQEAWYQLC-UHFFFAOYSA-NNSC-1565464-Dimethylamino-2-nitrobenzaldehyde 97%AS-814474-Dimethylamino-2-nitrobenzaldehyde, 97%Benzaldehyde, 4-(dimethylamino)-2-nitro-

데이터베이스 식별자

CAS: 56670-20-3
PubChem CID: 291352
DTXSID: DTXSID10303079
EC Number: 623-497-1
Nikkaji: J3.082.939E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 225

물리화학적 성질

녹는점: 117 °C · 117 °C (dec.) (lit.)
끓는 점: 365.5 · 365.5±32.0 °C(Predicted)
밀도: 1.286 · 1.286±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): -0.7 · -0.70±0.22(Predicted)
InChI: 1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3
InChIKey: DHLFXZQEAWYQLC-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=O)c(c1)[N+]([O-])=O

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 39 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

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

화학 및 산업

응용 분야 · 1건

용도4-Dimethylamino-2-nitrobenzaldehyde may be used to synthesize the following substituted 4-(dimethylamino)-6-nitrobenzaldehydes:5-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3,5-dichloro-4-(dimethylamino)-6-nitrobenzaldehyde