기본 정보
- 표준 SMILES
O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12- InChIKey
DCYIADGZPJOOFN-UHFFFAOYSA-N- 분자식
- C42H18N2O6
- 평균 분자량
- 646.6 g/mol
- 단동위원소 질량
- 646.1164863
개요
Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Vat Brown 1
- IUPAC
- 17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21,23,25,28,31(44),32(41),34,36,38,42-octadecaene-7,14,20,27,33,40-hexone
- 영어명
- Vat Brown 1
- 분자식
- C42H18N2O6
- 분자량
- 646.6
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
104491-90-9、241813-60-5、2475-33-4、37400-11-6、39456-84-3- PubChem CID
- 62448
- DTXSID
DTXSID7026283- UNII
- 7B7O2R5Q9A
- EC Number
- 219-599-7、600-573-2、814-889-5、841-224-6、842-652-6
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,460
실험 및 물리화학적 성질
Physical Description
Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992)
Dry Powder
물리화학적 성질
- 끓는 점
- 675.58 °C · 675.58°C (rough estimate)
- 밀도
- 1.2856 · 1.2856 (rough estimate)
- 굴절률
- 1.467 · 1.4670 (estimate)
- 산도 계수 (pKa)
- 11.33 · 11.33±0.20(Predicted)
- LogP
- 8.52 · 8.52
- EPA
- 1 · C.I. Vat Brown 1 (2475-33-4)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 17.1% (6 of 35) of reports.
Warning
H317 (71.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 35 reports by companies from 5 notifications to the ECHA C&L Inventory.
Danger
유해성 정보
Regulatory Information
Chemical: Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro-
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2'3'-i]carbazole-5,10,15,17,22,24-hexone (EC: 219-599-7)
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-08807
화학 및 산업
용도 및 제조
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone, 16,23-dihydro-: ACTIVE
응용 분야
일반 설명Fine, dark brown to black crystalline powder with a slight odor.
제조 방법
1,4-Diaminoanthraquinone and 1-Bromoanthracene-9,10-dione or 1-Bromoanthracene-9,10-dione (2 Moore) condensation, its product in Pyridine with Aluminium chloride heating.
상·하류 제품 정보
상류 원료
하류 제품
공급사43 곳
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