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베타-클로르단

trans-Chlordane

HCID 12303036
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
5103-74-2
표준 SMILES
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@@H](Cl)C[C@H]3[C@@]1(Cl)C2(Cl)Cl
InChIKey
BIWJNBZANLAXMG-OESJLNMISA-N
분자식
C10H6Cl8
평균 분자량
409.8 g/mol
단동위원소 질량
405.797772

개요

Trans-chlordane is a chlordane.

이름 및 식별자

우선 이름
trans-Chlordane
IUPAC
(1R,2R,3S,4S,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
현지명
베타-클로르단
영어명
trans-Chlordane
분자식
C10H6Cl8
분자량
409.78

이름 및 동의어

beta-Chlordanetrans-Chlordanetrans-gamma-ChlordaneCHEBI:390695103-74-2(1S,2S,3aR,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindenetrans-ChlordanChlordane, trans-DTXCID10820190Chlordane transRefChem:1100259(1R,3R,4R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo(5.2.1.02,6)dec-8-ene
이름 더 보기
베타-클로르단(±)-트랜스-클로르단감마-클로르덴(1a,2b,3aa,4b,7b,7aa)-1,2,4,5,6,7,8,8-옥타클로로-2,3,3a,4,7,7a-헥사하이드로-4,7-메타노-1H-인덴(1R,2R,3aS,4S,7R,7aS)-rel-1,2,4,5,6,7,8,8-옥타클로로-2,3,3a,4,7,7a-헥사하이드로-4,7-메타노-1H-인덴1b,2a,4a,5,6,7a,8,8-옥타클로로-3ab,4,7,7ab-테트라하이드로4,7-메타노인단감마 클로르데인감마-클로르단감마-클로르데인베타-클로르데인트랜스-클로르데인트랜스클로르단GAMMA-CHLORDANEg-Chlordaneγ-Chlordaneγ-Chlordanebeta-Chlordanrans-chlordane
4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1R,2R,3aS,4S,7R,7aS)-rel-225-826-0DTXSID4038346E90X846H9Sgamma-Chlordan(1R,2R,3S,4S,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene(1alpha,2beta,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indeneSCHEMBL5053401

데이터베이스 식별자

CAS
5103-74-2
PubChem CID
12303036
ChEBI
CHEBI:39069
EC Number
225-826-0

물성

구조 계산 물성

XLogP
4.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
18
형식 전하
0
복잡도
459

실험 및 물리화학적 성질

Pesticides · 3건

Pesticides -> Organochlorine Pesticides

Pesticide (Chlordane trans) -> USDA PDB

Pesticide

Vapor Pressure0.0000503 [mmHg]
Physical DescriptionWhite odorless crystals; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
106 °C · 106°C (estimate)
끓는 점
492.46 °C · 492.46°C (rough estimate)
밀도
1.8 · 1.80
증기압
5.03 x · 5.03 x 10-5 mmHg at 25 °C (subcooled liquid vapor pressure calculated from GC retention time data,Hinckley et al., 1990)
굴절률
1.6 · 1.6000 (estimate)
인화점
-18 °C · -18 °C
저장 조건
0 · 0-6°C
용해도
지방족 및 방향족 용매와 혼합 가능(US EPA, 1985)
물리적 상태
고체
색상
Yellow
수용성
56 ug/L · 56ug/L(온도 미표시)
Henry's Law Constant
0.033 at · 0.033 at 5 °C, 0.098 at 15 °C, 0.11 at 20 °C, 0.16 at 25 °C, 0.44 at 35 °C:in 3% NaCl solution: 0.077 at 5 °C, 0.14 at 15 °C, 0.38 at 25 °C, 3.47 at 35 °C (gas stripping-GC, Cetin et al., 2006)(x 10-3 atmm3/mol)
InChI
InChI=1/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/s3
InChIKey
BIWJNBZANLAXMG-PGCVDOQQNA-N
SMILES
[C@@H]1(Cl)[C@]2([H])[C@@]([H])([C@@]3(Cl)C(Cl)(Cl)[C@]2(Cl)C(Cl)=C3Cl)C[C@H]1Cl |&1:0,2,4,6,11,18,r|
EPA
trans-Chlordane (5103-74-2)

화학적 성질

Colorless to amber, solid or very viscous, noncombustible liquid which may impart a chlorinelike, irritating odor

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Warning

H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards Summary · 1건

Oral LD50 (mouse) = 275 mg/kg; [RTECS] Chlordane is a mixture of cis and trans isomers, chlordane related compounds, chlorinated hydrocarbons, and other compounds; One sample of chlordane (CAS# 57-74-9) tested contained 23.1% of the trans isomer; A sample of technical chlordane (CAS# 12789-03-6) contained 15% of the trans isomer; [EPA] Harmful by ingestion; Suspected carcinogen; [Sigma-Aldrich MSDS] See Chlordane.

Hazard Classes and CategoriesAcute Tox. 4 (95.8%)

안전 및 보호

Minimum Risk Level · 2건

Intermediate Inhalation: 0.0002 mg/m3 (L134) Chronic Inhalation: 0.00002 mg/m3 (L134) Acute Oral: 0.001 mg/kg/day (L134) Intermediate Oral: 0.0006 mg/kg/day (L134) Chronic Oral: 0.0006 mg/kg/day (L134)

Intermediate Inhalation: 0.0002 mg/m3 (L134) Chronic Inhalation: 0.00002 mg/m3 (L134) Acute Oral: 0.001 mg/kg/day (L134) Intermediate Oral: 0.0006 mg/kg/day (L134) Chronic Oral: 0.0006 mg/kg/day (L134)

독성 정보

Treatment · 2건

Treatment is symptomatic. It is aimed at controlling convulsions, coma, and respiratory depression. Gastric lavage, followed by the administration of activated charcoal, may be performed following ingestion. (L146)

Treatment is symptomatic. It is aimed at controlling convulsions, coma, and respiratory depression. Gastric lavage, followed by the administration of activated charcoal, may be performed following ingestion. (L146)

Health Effects · 2건

Chlordane is a central nervous system stimulant, and can also damage the digestive system and the liver. Large doses have been known to cause convulsions, respiratory failure, and death. Chlordane is also known to have adverse reproductive and developmental effects. (L91)

Chlordane is a central nervous system stimulant, and can also damage the digestive system and the liver. Large doses have been shown to cause convulsions, respiratory failure, and death. Chlordane is also known to have adverse reproductive and developmental effects. (L91)

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure Routes · 2건

Oral (L281) ; inhalation (A105)

Oral (A105) ; inhalation (A105)

Toxicity Summary · 2건

Chlordane is believed to bind irreversibly to DNA, leading to cell death or altered cellular function. It also affects transcription by antagonizing estrogen-related receptors. Chlordane induces hepatic cytochrome P-450, causing a large increase in the volume of the smooth endoplasmic reticulum, which results in hepatocellular enlargement and hypertrophy. Chlordane has also been shown to bind and activate retinoic acid receptor, causing various developmental defects, and inhibit alkaline phosphatases in hepatic and renal tissues. (L91, A52, A53, A68, A69)

Chlordane is believed to bind irreversibly to DNA, leading to cell death or altered cellular function. It also affects transcription by antagonizing estrogen-related receptors. Chlordane induces hepatic cytochrome P-450, causing a large increase in the volume of the smooth endoplasmic reticulum, which results in hepatocellular enlargement and hypertrophy. Chlordane has also been shown to bind and activate retinoic acid receptor, causing various developmental defects, and inhibit alkaline phosphatases in hepatic and renal tissues. (L91, A52, A53, A68, A69)

Signs and Symptoms · 2건

Ingestion and inhalation of chlordane cause headaches, irritability, confusion, weakness, vision problems, vomiting, stomach cramps, diarrhea, and jaundice. (L91)

Ingestion and inhalation of chlordane cause headaches, irritability, confusion, weakness, vision problems, vomiting, stomach cramps, diarrhea, and jaundice. (L91)

Acute Toxicity LinkChemical: CHLORDANE TRANS
Carcinogen Classification · 2건

2B, possibly carcinogenic to humans. (L135)

Chlordane is possibly carcinogenic to humans (Group 2B). (L135)

Toxicity Data · 2건

LD50: 200 mg/kg (Oral, Rat) (T13) LD50: 343 mg/kg (Intraperitoneal, Rat) (T13) LD50: 10 mg/kg (Intravenous, Mouse) (T14) LD50: 780 mg/kg (Dermal, Rat) (T14) LC50: 100 mg/m3 over 4 hours (Inhalation, Cat) (T14)

LD50: 200 mg/kg (Oral, Rat) (T13) LD50: 343 mg/kg (Intraperitoneal, Rat) (T13) LD50: 10 mg/kg (Intravenous, Mouse) (T14) LD50: 780 mg/kg (Dermal, Rat) (T14) LC50: 100 mg/m3 over 4 hours (Inhalation, Cat) (T14)

RAIS Toxicity Values · 2건

0.0005

SURROGATE. See Chlordane, Technical.

USGS Health-Based Screening Levels for Evaluating Water-Quality · 6건

trans-Chlordane

39065

Pesticide

2

Applies to chlordane, CASRN 12798036

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

3.60e+01

5.00e+02

1.00e+01

4.0E+03(G)

1.40e+00

5.00e-04

안전 데이터

wgk
3
rtecs
PC0365000
ridadr
2761
독성
LC50 (96-hour) for rainbow trout 90 mg/L and bluegill sunfish 70 mg/L (Hartley and Kidd, 1987); EC50 (96-hour) for goldfish 0.5 mg/L; acute oral LD50 for rats 365–590 mg/kg (Hartley and Kidd, 1987), 343 mg/kg (RTECS, 1985).
risk_code
11-38-50/53-65-67-40-22-48-36/37/38-20/21/22-62-51/53-48/20-50-20
hazard_code
F,Xn,N
safety_code
60-61-62-36/37-45-26-33-29-16-9-25
포장분류
III
위험 등급
6.1(b)
함량 및 규제정보
물질구분: 유독물질; 혼합물(제품)함량정보: 클로르단 및 이를 1% 이상 함유한 혼합물
유해화학물질 필터링
97-1-285;06-4-31

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

Chlordane is highly lipophilic and is thus easily absorbed by ingestion, inhalation, and dermal exposure, then stored mainly in the fat. Chlordane is metabolized mainly in the liver and kidney. Metabolism is slow, and is believed to occur by multiple pathways involving cytochrome P-450 enzymes, glutathione-S-transferase type enzymes, and microsomal mixed-function oxidase systems. The metabolites are generally less toxic and include chlordene chlorohydrin, monohydroxylated dihydrochlordene, and oxychlordane. They are excreted in the urine and faeces. (L91)

Chlordane is highly lipophilic and is thus easily absorbed by ingestion, inhalation, and dermal exposure, then stored mainly in the fat. Chlordane is metabolized mainly in the liver and kidney. Metabolism is slow, and is believed to occur by multiple pathways involving cytochrome P-450 enzymes, glutathione-S-transferase type enzymes, and microsomal mixed-function oxidase systems. The metabolites are generally less toxic and include chlordene chlorohydrin, monohydroxylated dihydrochlordene, and oxychlordane. They are excreted in the urine and faeces. (L91)

용도 및 제조

Uses · 5건

Chlordane was used in the US as an insecticide for crops, livestock, lawns, gardens, and house foundations; [EPA]

All uses in the US cancelled in 1988; [EPA]

Farming (Pesticides) [Category: Industry]

Chlordane was used as a pesticide. (L90)

Chlordane was used as a pesticide. (L90)

Use ClassificationINSECTICIDES

응용 분야

용도Insecticide

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