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콜란트렌

1,2-Dihydrobenz(j)aceanthrylene

HCID 10176
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
479-23-2
표준 SMILES
c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2
InChIKey
KVFJBIQWENJTDM-UHFFFAOYSA-N
분자식
C20H14
평균 분자량
254.3 g/mol
단동위원소 질량
254.10955045

개요

structure given in first source

이름 및 식별자

우선 이름
1,2-Dihydrobenz(j)aceanthrylene
IUPAC
1,2-dihydrobenzo[j]aceanthrylene
현지명
콜란트렌
영어명
Cholanthrene
분자식
C20H14
분자량
254.33

이름 및 동의어

CHOLANTHRENE479-23-2Benz(7,8)aceanthrene7,8-Dimethylenebenz(a)anthracene429L45KABE1,2-DIHYDROBENZ(J)ACEANTHRYLENERefChem:125608207-528-2BENZ1,2-dihydrobenzo[j]aceanthryleneCholanthrenBenz[j]aceanthrylene, 1,2-dihydro-
이름 더 보기
콜란트렌Cholanthrene in toluene1,2-Dihydrobenz[j]aceanthrylene1,2-dihydro-benz(j)aceanthrylen1,2-dihydroxybenz[j]aceanthrylene
Benz(j)aceanthrylene, 1,2-dihydro-Benz(j)aceanthreneHSDB 28091,2-Dihydroxybenz(j)aceanthryleneEINECS 207-528-2BRN 1965625UNII-429L45KABE1H,2H-benzo[j]aceanthrylene

데이터베이스 식별자

CAS
479-23-2
PubChem CID
10176
DTXSID
DTXSID0073908
ChEMBL
CHEMBL41430
UNII
429L45KABE
EC Number
207-528-2
Nikkaji
J6.156E

물성

구조 계산 물성

XLogP
6.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
20
형식 전하
0
복잡도
372

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesAngular frequency
Color/Form · 3건

Faintly yellow plates from benzene + ether

Pale yellow leaflets from benzene-alcohol

Pale yellow leaflets of pentacyclic hydrocarbons

Solubility · 4건

In water, 3.5X10-3 mg/L at 25 °C

Insoluble in water

Soluble in benzene, xylene, toluene; slightly soluble in methanol. Insoluble in water

Soluble in ethanol, benzene, acetic acid, ligroin, toluene

DecompositionWhen heated to decomposition it emits acrid smoke and irritating fumes.
Melting Point170.4 °C
Vapor Pressure0.00000007 [mmHg]
Physical DescriptionFaintly yellow solid; [Merck Index]
Other Experimental Properties · 3건

Sublimes at 210-215 °C at 0.2 mm Hg

May be solubilized by aqueous solutions of Na desoxycholate

Olive green crystals, MP 245-246 °C /Molecular complex with 2,4,7-trinitrofluorenone/

물리화학적 성질

녹는점
173 ° · 173°
끓는 점
332.54 °C · 332.54°C (rough estimate)
밀도
1.118 · 1.1180 (estimate)
굴절률
1.704 · 1.7040 (estimate)
수용성
3.5 ug/L · 3.5ug/L(27℃)
EPA
1 · Benz[j]aceanthrylene, 1,2-dihydro- (479-23-2)

안전 및 규제

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

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryEmergency treatment: Polynuclear aromatic hydrocarbons; Acute toxicity of PAHs is low; May cause photosensitivity; May cause cancer after chronic exposure; [HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 0.2 mg/cu m. /Coal tar pitch volatiles (benzene soluble fraction), anthracene, BaP, phenanthrene, acridine, chrysene, pyrene/
NIOSH Recommendations · 2건

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.1 mg/cu m (cyclohexane-extractable fraction). /Coal tar pitch volatiles/

NIOSH considers coal tar pitch volatiles to be potential occupational carcinogens. NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration. /Coal tar pitch volatiles/

Clean Water Act Requirements · 2건

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Polynuclear aromatic hydrocarbons (including benzanthracenes, benzopyrenes, benzofluoranthene, chrysenes, dibenz-anthracenes, and indenopyrenes)/

For the maximum protection of human health from the potential carcinogenic effects of exposure to polynuclear aromatic hydrocarbons through ingestion of contaminated water and contaminated aquatic organisms, the ambient water concentration should be zero, based on the nonthreshold assumption for this chemical. However, zero level may not be attainable at the present time. Therefore, the levels which may result in incremental increase of cancer risk over the lifetime are estimated at 1X10-5, 1X10-6, and 1X10-7. The corresponding recommended criteria are 28.0 ng/L, 2.8 ng/L, and 0.28 ng/L, respectively. If these estimates are made for consumption of aquatic organisms only, excluding consumption of water, the levels are 311.0 ng/L, 31.1 ng/L, and 3.11 ng/L, respectively. /Polynuclear aromatic hydrocarbons/.

Hazard Classes and CategoriesNot Classified
Hazardous Reactivities and IncompatibilitiesStrong oxidizers.

안전 및 보호

Disposal Methods · 2건

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Preventive Measures · 3건

The worker should wash daily at the end of each work shift, and prior to eating, drinking, smoking, etc. /Coal tar pitch volatiles/

Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises. /Coal tar pitch volatiles/

SRP: Contaminated protective clothing should be segregated in a manner such that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. The completeness of the cleaning procedures should be considered before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at the end of shift, but should remain at employee's place of work for cleaning.

Threshold Limit Values (TLV) · 5건

8 Hr Time Weighted Avg (TWA): 0.2 mg/cu m. /Coal tar pitch volatiles, as benzene soluble aerosol/

Peak Exposure Recommendation: Transient increases in workers' exposure levels may exceed 3 times the value of the TLV-TWA level for no more than 15 minutes at a time, on no more than 4 occasions spaced 1 hour apart during a workday, and under no circumstances should they exceed 5 times the value of the TLV-TWA level. In addition, the 8-hour TWA is not to be exceeded for an 8-hour work period. /Coal tar pitch volatiles, as benzene soluble aerosol/

A1; Confirmed human carcinogen. /Coal tar pitch volatiles, as benzene soluble aerosol/

Biological Exposure Index (BEI): Determinant: 1-Hydroxypyrene (1-HP) in urine (with hydrolysis); Sampling Time: end of shift at end of workweek. BEI: None.; Biological monitoring should be considered for this compound based on the review; however, a specific BEI could not be determined due to insufficient data. /Polycyclic aromatic hydrocarbons/

For more Threshold Limit Values (TLV) (Complete) data for Cholanthrene (6 total), please visit the HSDB record page.

Personal Protective Equipment (PPE) · 2건

Respirator Recommendations: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration: /Coal tar pitch volatiles/[Table#4178]

Respirator Recommendations: Escape conditions: /Coal tar pitch volatiles/[Table#4179]

Immediately Dangerous to Life or Health (IDLH)NIOSH considers coal tar pitch volatiles to be potential occupational carcinogens. /Coal tar pitch volatiles/

독성 정보

Toxicity Summary · 1건

IDENTIFICATION AND USE: Cholanthrene is a solid. It is a polycyclic aromatic hydrocarbon used in biochemical research. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: Cholanthrene was a moderate tumor-initiator in mouse skin with maximal tumor yields of 6.90 and 8.86 tumors per mouse at 200 and 600 nmol doses, respectively, after 20 weeks of promotion. The introduction of a methyl substituent at the non-benzo ring bay-region position of cholanthrene (i.e. carbon atom 6) dramatically increased tumor-initiating activity in mice. Studies on the mutagenicity and metabolism of benz(j)aceanthrylene are reported in Salmonella. The activity spectrum over the 5 Ames tester strains is similar to that of benzo(a)pyrene, and the dose-response curves for strain TA98 are comparable. Benz(j)aceanthrylene is a frame-shift mutagen requiring metabolic activation.

Non-Human Toxicity Excerpts · 4건

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Carcinogenic activities of some hydrocarbon derivatives containing five-membered rings: cholanthrene: moderate: painting on mouse skin, subcutaneous injections in rats; high: subcutaneous injections in mice. /From table/

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Initial studies on the mutagenicity and metabolism of benz(j)aceanthrylene are reported in Salmonella. The activity spectrum over the 5 Ames tester strains is similar to that of benzo(a)pyrene, and the dose-response curves for strain TA98 are comparable. Benz(j)aceanthrylene is a frame-shift mutagen requiring metabolic activation. Optimal S9-dependent activity is observed at a 10-fold lower concentration than for benzo(a)pyrene.

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity: Initiation-Promotion/ The effect of a methyl substituent at the non-benzo ring bay-region position of benzo[e]pyrene (B[e]P), cholanthrene (CA) and dibenz[a,j]anthracene (DB[a,j]A) on skin tumor-initiating activity was examined. A methyl substituent at the 1-carbon of B[e]P enhanced tumor-initiating activity of the parent compound (0.18 vs. 2.4 papillomas/mouse for B[a]P vs. 1-methyl-B[e]P, respectively, with an 800 nmol initiating dose). A methyl substituent at the 7- and 14-carbons of DB[a,j]A increased the activity of this weak initiator more than 13 times. The introduction of a methyl substituent at the non-benzo ring bay-region position of CA (i.e. carbon atom 6) dramatically increased tumor-initiating activity in SENCAR mice. 6-Methyl-CA was found to be a more potent skin tumor-initiator than 3-methyl-CA, and nearly as potent as 7,12-dimethylbenz[a]anthracene, one of the most potent initiators yet tested in the 2-stage initiation-promotion mouse skin model. When taken together with previous results from our laboratories, the data further support the generality of the enhancing effect of a non-benzo ring bay-region methyl substituent on polycyclic hydrocarbon tumor-initiation.

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity: Initiation-Promotion/ The tumor-initiating activity of dibenz[a,j]anthracene, (+/-)dibenz[a,j]anthracene-trans-3,4-diol and (+/-)dibenz[a,j]-anthracene-anti-3,4-diol-1,2-epoxide in mouse skin was examined and compared to that of cholanthrene, (+/-) cholanthrene-trans-9,10-diol and (+/-)cholanthrene-anti-9,10-diol-7,8-epoxide. The tumor-initiating activity of these compounds dissolved in acetone or in tetrahydrofuran (THF) was also compared. In acetone, dibenz[a,j]anthracene was a weak tumor initiator with maximal tumor yields of 1.27 and 3.00 per mouse at 400 and 800 nmol doses, respectively. At the 400 nmol dose, the diol of this compound was slightly more active than the parent compound while the tumorigenic activity of the diol-epoxide was significantly higher. The diol-epoxide was almost three times more active than the parent compound as a tumor-initiator. Cholanthrene was a moderate tumor-initiator with maximal tumor yields of 6.90 and 8.86 tumors per mouse at 200 and 600 nmol doses, respectively, after 20 weeks of promotion. At comparable doses, (+/-)cholanthrene-trans-9,10-diol was approximately 50% as potent as cholanthrene as a tumor initiator whereas the diol-epoxide was only minimally active. Replacing the acetone with THF as solvent vehicle increased the tumor-initiating activity of cholanthrene-diol-epoxide; however, the parent compound still retained higher tumor-initiating activity than its bay-region diol-epoxide. The low tumorigenic activity of cholanthrene-diol-epoxide is thought to reflect the high chemical reactivity and low stability of this derivative, which may prevent it from penetrating to epidermal targets. In contrast, the bay-region diol-epoxide derivative of dibenz[a,j]anthracene appears to be stable enough to exert greater biologic activity when applied to mouse skin.

Antidote and Emergency Treatment · 3건

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Consider drug therapy for pulmonary edema ... . Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... .Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aromatic hydrocarbons and related compounds/

규제 정보

Clean Water Act Requirements · 2건

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Polynuclear aromatic hydrocarbons (including benzanthracenes, benzopyrenes, benzofluoranthene, chrysenes, dibenz-anthracenes, and indenopyrenes)/

For the maximum protection of human health from the potential carcinogenic effects of exposure to polynuclear aromatic hydrocarbons through ingestion of contaminated water and contaminated aquatic organisms, the ambient water concentration should be zero, based on the nonthreshold assumption for this chemical. However, zero level may not be attainable at the present time. Therefore, the levels which may result in incremental increase of cancer risk over the lifetime are estimated at 1X10-5, 1X10-6, and 1X10-7. The corresponding recommended criteria are 28.0 ng/L, 2.8 ng/L, and 0.28 ng/L, respectively. If these estimates are made for consumption of aquatic organisms only, excluding consumption of water, the levels are 311.0 ng/L, 31.1 ng/L, and 3.11 ng/L, respectively. /Polynuclear aromatic hydrocarbons/.

안전 데이터

유해 물질 데이터
479-23-2(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Methods of ManufacturingSynthesis from 1-beta-naphthylhydrindene ... ; from 4-indanyl-MgBr and 1-naphthoyl chloride ... .
General Manufacturing InformationThe structural precursor of 3-methylcholanthrene ... questionable carcinogen

공급사2 곳

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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