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2,6-디클로로벤즈알데히드

2,6-Dichlorobenzaldehyde

HCID 6737
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
83-38-5
표준 SMILES
O=Cc1c(Cl)cccc1Cl
InChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-N
분자식
C7H4Cl2O
평균 분자량
175.01 g/mol
단동위원소 질량
173.9639201

개요

Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)

이름 및 식별자

우선 이름
2,6-Dichlorobenzaldehyde
IUPAC
2,6-dichlorobenzaldehyde
현지명
2,6-디클로로벤즈알데히드
영어명
2,6-Dichlorobenzaldehyde
분자식
C7H4Cl2O
분자량
175.01

이름 및 동의어

2,6-DICHLOROBENZALDEHYDE83-38-5Benzaldehyde, 2,6-dichloro-MFCD000033072,6-dichloro benzaldehydeDTXSID5024970Benzaldehyde,6-dichloro-2,6-dichloro-benzaldehyde(2,6-dichlorophenyl)methanoneO,O'-DICHLOROBENZALDEHYDENSC-7193781ADM5611
이름 더 보기
2,6-디클로로벤즈알데히드AURORA 14017AKOS BBS-000031702,6-DichlorobenzaldeLABOTEST-BB LT014609026-Dichlorobenzaldehyde2,6-Dichloobenzaldehyde2,6-Dichlor-Benzaldehyd2,6-dichloro-benzaldehyd
o,o'-Dichlorobenzaldehyde; NSC 7193;CCRIS 6014NSC 7193EINECS 201-472-2UNII-781ADM5611NSC71932,6dichloro-benzaldehyde2,6-dichloro -benzaldehyde

데이터베이스 식별자

CAS
83-38-5
PubChem CID
6737
DTXSID
DTXSID5024970
ChEMBL
CHEMBL1442731
UNII
781ADM5611
EC Number
201-472-2
Nikkaji
J60.295G

물성

구조 계산 물성보충 중

XLogP
2.6
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
117

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzaldehydes
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point329 °F at 760 mmHg (NTP, 1992)
Melting Point158 to 160 °F (NTP, 1992)
Physical Description · 2건

Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)

Yellowish or off-white solid with a pungent odor; [CAMEO] Off-white hygroscopic powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
69 · 69-71 °C (lit.)
끓는 점
165 °C · 165°C
밀도
1.3456 · 1.3456 (rough estimate)
굴절률
1.5756 · 1.5756 (estimate)
인화점
135 °C · 135°C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
1 g/l · <1g/l 불용성

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H314 (94.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 2,6-dichloro-

REACH registered substance: 2,6-dichlorobenzaldehyde (EC: 201-472-2)

2,6-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

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

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

Hazards SummarySensitive to air, moisture, and light; Causes burns; Inhalation may cause chemical pneumonitis and pulmonary edema; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactive GroupAldehydes
Reactivity Profile2,6-DICHLOROBENZALDEHYDE is incompatible with strong oxidizers and strong bases. It may also be incompatible with iron. (NTP, 1992)

화학 및 산업

용도 및 제조

UsesUsed to make pharmaceuticals, dyes, and other organic chemicals; [NTP]
General Manufacturing InformationBenzaldehyde, 2,6-dichloro-: ACTIVE

응용 분야

일반 설명Yellowish flakes or fine off-white powder. Pungent odor.

상·하류 제품 정보

상류 원료

과산화 벤조일2,6-Dichlorobenzal chloride피레트럼아조비스이소부티로니트릴2-클로로-6-니트로톨루엔과산화 수소2,6-디클로로톨루엔4-니트로톨루엔과망간산칼륨2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine피마게딘

하류 제품

3-(2,6-디클로로페닐)-5-메틸리속사졸-4-카르발데히드

관련 반응

146건
반응 기록 만들기
HRID 75202 반응식
HRID 75202반응물로uspto-grants-2014_09
HRID 96073 반응식
HRID 96073반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 100155 반응식
HRID 100155반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 122825 반응식
HRID 122825반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 149180 반응식
HRID 149180반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 179275 반응식
HRID 179275반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 183768 반응식
HRID 183768반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 191540 반응식
HRID 191540반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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더보기
새 노트새 반응견적 요청하기
물리적 상태
결정성 분말
색상
흰색~밝은 베이지
수용성
23 · 23&C에서 <0.1g/100mL
BRN
386477 · 386477
안정성
안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다. 공기, 빛, 습기에 민감합니다.
InChI
1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-N
SMILES
[H]C(=O)c1c(Cl)cccc1Cl
NIST
2 · Benzaldehyde, 2,6-dichloro-(83-38-5)
EPA
2 · Benzaldehyde, 2,6-dichloro- (83-38-5)

화학적 성질

white to light yellow powder

Air and Water ReactionsSensitive to air, moisture and light. Insoluble in water.
Hazard Classes and CategoriesSkin Corr. 1B (94.2%)

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.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
HS 번호
29130000
risk_code
34-36/37/38
hazard_code
C,Xi
safety_code
26-27-28-36/37/39-45-37/39
포장분류
III
위험 등급
8
위험 참고 사항
Corrosive
Hazard Classifications
Skin Corr. 1B
스토리지 클래스
8A - Combustible corrosive hazardous materials
2,6-디클로로페네틸이소시아나이드
(2,6-DICHLORO-3-NITRO)벤질알코올
크로마주롤B
2,6-디클로로벤조일 클로라이드
디플르오르벤조알데히드(2,6-)
2-클로로-6-플루오로벤즈알데히드
2,6-디클로로-N-하이드록시벤젠카복스이미도일클로라이드
2,6-디클로로-3-니트로벤즈알데히드
2',6'-Dichloroacetophenone
Porphine
3-(2,6-디클로로페닐)-5-메틸이속사졸-4-카르보닐클로라이드
크로마주롤B