기본 정보
- 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
이름 더 보기
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
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
GHS 분류
GHS Classification
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
Chemical: Benzaldehyde, 2,4-dichloro-
2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
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.
안전 및 보호
First Aid
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
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.
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
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
하류 제품
공급사50 곳
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