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2,4-디클로로벤즈알데히드

2,4-Dichlorobenzaldehyde

HCID 13404
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
874-42-0
표준 SMILES
O=Cc1ccc(Cl)cc1Cl
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
분자식
C7H4Cl2O
평균 분자량
175.01 g/mol
단동위원소 질량
173.96392011

개요

2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)

이름 및 식별자

우선 이름
2,4-Dichlorobenzaldehyde
IUPAC
2,4-dichlorobenzaldehyde
현지명
2,4-디클로로벤즈알데히드
영어명
2,4-Dichlorobenzaldehyde
분자식
C7H4Cl2O
분자량
175.01

이름 및 동의어

2,4-DICHLOROBENZALDEHYDE874-42-0Benzaldehyde, 2,4-dichloro-CCRIS 6013DTXSID1022130NSC 8762EINECS 212-861-1UNII-Z08QL2124RAI3-16063Z08QL2124RNSC-8762DTXCID302130
이름 더 보기
2,4-디클로로벤즈알데히드DICHLOROBENZALDEHYDE2,4-DCADAKOS BBS-000031962,4-DichlorobenzaldeMiconazole Impurity 192,4-dichloro-benzaldehyd4-DichlorobenzenaldehydeDICHLOROBENZALDEHYDE(2,4-)2,4-Dichlorobenzenaldehyde
O,P-DICHLOROBENZALDEHYDEDICHLOROBENZALDEHYDE, 2,4-2,4-DICHLOROPHENYLCARBOXALDEHYDERefChem:82375212-861-1InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4YSFBEAASFUWWHU-UHFFFAOYSA-N2,4-dichloro-benzaldehyde

데이터베이스 식별자

CAS
874-42-0
PubChem CID
13404
DTXSID
DTXSID1022130
ChEMBL
CHEMBL1531235
UNII
Z08QL2124R
EC Number
212-861-1
Nikkaji
J30.720C

물성

구조 계산 물성

XLogP
3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
127

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density1.33 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point451 °F at 760 mmHg (NTP, 1992)
Melting Point156 to 163 °F (NTP, 1992)
Physical Description2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)

물리화학적 성질

녹는점
64 · 64-69 °C (lit.)
끓는 점
233 °C · 233 °C (lit.)
밀도
1.3456 · 1.3456 (rough estimate)
굴절률
1.5756 · 1.5756 (estimate)
인화점
135 °C · 135 °C
저장 조건
30 °C · Store below +30°C.
물리적 상태
결정질 분말, 결정 및/또는 덩어리
색상
밝은 노란색에서 베이지색까지
수용성
24 · 24 ºC에서 <0.1g/100mL
BRN
471601 · 471601
InChI
1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
SMILES
[H]C(=O)c1ccc(Cl)cc1Cl
NIST
2 · Benzaldehyde, 2,4-dichloro-(874-42-0)
EPA
2 · Benzaldehyde, 2,4-dichloro- (874-42-0)

화학적 성질

light yellow to beige crystalline powder, crystals

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzaldehyde, 2,4-dichloro-

2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis compound is combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this chemical are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, shortness of breath, headache, laryngitis, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.

Reactive GroupAldehydes
Reactivity Profile2,4-DICHLOROBENZALDEHYDE is incompatible with iron, oxygen and oxygen-containing materials. It is also incompatible with strong oxidizers and strong bases. (NTP, 1992)
Air and Water ReactionsSensitive to light. May also be sensitive to prolonged exposure to air and moisture. Insoluble in water.
Hazard Classes and CategoriesSkin Corr. 1C (96.2%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
독성
LD50 orally in Rabbit: 3470 mg/kg
HS 번호
29130000
risk_code
34-51/53-36/37/38
hazard_code
C,N,Xi
safety_code
26-36/37/39-45-61-37/39
포장분류
III
위험 등급
8
기존화학 물질
KE-10060
위험 참고 사항
Corrosive
자연 발화 온도
440 °C
Hazard Classifications
Aquatic Chronic 2Eye Dam. 1Skin Corr. 1B
스토리지 클래스
8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 2,4-dichloro-: ACTIVE

응용 분야

용도2,4-Dichlorobenzaldehyde is used in the synthesis of platelet aggregation inhibitors. Also used in the preparation of novel Schiff bases containing quinazolinone rings.

일반 설명White crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container.

상·하류 제품 정보

상류 원료

알파,알파,2,4-테트라클로로톨루엔2,4-펜탄디온2,4-디클로로톨루엔염소(기체)Metallic oxides2,4-디클로로벤질클로라이드2,5-디클로로벤잘데히드Methanediol, (2,4-dichlorophenyl)-, diacetate(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine2,4-Dichlorobenzyl mercaptan2,4-Dichlorophenylacetic acid2,4-디클로로벤잘데하이드옥심1,3-Dichloro-4-iodobenzene2,4-디클로로벤질 알코올개미산2,4-디클로로벤조일 클로라이드

하류 제품

DiniconazoleDiclobutrazol2,4-디클로로-5-니트로벤잘레하이드2,4-디클로로 안식향산2,4-디플루오로벤즈알데히드

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