2-클로로-5-니트로벤즈알데히드

2-Chloro-5-nitrobenzaldehyde

HCID 72933

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6361-21-3
표준 SMILES: O=Cc1cc([N+](=O)[O-])ccc1Cl
InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N
분자식: C7H4ClNO3
평균 분자량: 185.56 g/mol
단동위원소 질량: 184.9879707

이름 및 식별자

우선 이름: 2-Chloro-5-nitrobenzaldehyde
IUPAC: 2-chloro-5-nitrobenzaldehyde
현지명: 2-클로로-5-니트로벤즈알데히드
영어명: 2-Chloro-5-nitrobenzaldehyde
분자식: C7H4ClNO3
분자량: 185.56

이름 및 동의어

2-Chloro-5-nitrobenzaldehyde6361-21-3Benzaldehyde, 2-chloro-5-nitro-3-Nitro-6-chlorobenzaldehydePF4ILL0I3HEINECS 228-830-05-nitro-2-chlorobenzaldehydeNSC 129753BRN 0743764NSC-129753DTXSID80222404-07-00-00609 (Beilstein Handbook Reference)

이름 더 보기

2-클로로-5-니트로벤즈알데히드KQFK TFAAKOS B022478ASISCHEM R37046AKOS BBS-00003267Chloro-5-nitrobenzaldehBelumosudil Impurity 282-Chlor-5-nitrobenzaldehyd2-CHLORO-5-NITROBENALDEHYDE2-Choro-5-Nitrobenzaldehyde

6-CHLORO-3-NITROBENZALDEHYDERefChem:469424DTXCID802240228-830-0MFCD000072932-chloro-5-nitro-benzaldehydeUNII-PF4ILL0I3HNSC129753

데이터베이스 식별자

CAS: 6361-21-3
PubChem CID: 72933
DTXSID: DTXSID8022240
UNII: PF4ILL0I3H
EC Number: 228-830-0
Nikkaji: J54.483C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 192

물리화학적 성질

녹는점: 75 · 75-77 °C (lit.)
끓는 점: 276.5 °C · 276.5°C (rough estimate)
밀도: 1.4791 · 1.4791 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
색상: 옅은 노랑
BRN: 743764 · 743764
InChI: InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N
SMILES: C(=O)C1=CC([N+]([O-])=O)=CC=C1Cl
EPA: 2 · Benzaldehyde, 2-chloro-5-nitro- (6361-21-3)

화학적 성질

light yellow to beige-yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): 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 7 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: CU5220000
HS 번호: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26-36
F 고인화성물질: 10
위험 참고 사항: Irritant/Air Sensitive
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 2-chloro-5-nitro-: ACTIVE

응용 분야 · 2건

용도2-Chloro-5-nitrobenzaldehyde was used in the synthesis of 5-nitro-2-(1H-pyrrol-1-yl)benzaldehyde.

일반 설명2-Chloro-5-nitrobenzaldehyde undergoes condensation reaction with 2-methyl-1-propenylbenzimidazole to yield (E,Z)-2-(2-chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole. It reacts with 5-aminopyrazoles to yield symmetrical bispyrazolo[3,4-]pyridines.