기본 정보
- CAS
119-33-5- 표준 SMILES
Cc1ccc(O)c([N+](=O)[O-])c1- InChIKey
SYDNSSSQVSOXTN-UHFFFAOYSA-N- 분자식
- C7H7NO3
- 평균 분자량
- 153.14 g/mol
- 단동위원소 질량
- 153.04259309
이름 및 식별자
- 우선 이름
- 4-Methyl-2-nitrophenol
- IUPAC
- 4-methyl-2-nitrophenol
- 현지명
- 2-나이트로-4-크레솔
- 영어명
- 2-Nitro-p-cresol
- 분자식
- C7H7NO3
- 분자량
- 153.14
이름 및 동의어
4-Methyl-2-nitrophenol119-33-52-NITRO-P-CRESOLPhenol, 4-methyl-2-nitro-2-Nitro-4-methylphenol4-Hydroxy-3-nitrotolueneo-Nitro-p-cresol2-Nitro-4-cresolp-Cresol, 2-nitro-DTXSID0026961P92KPK2NL3NSC-5387
이름 더 보기
2-나이트로-4-크레솔2-나이트로-4-크레솔페놀,4-메틸-2-나이트로페놀,4-메틸-2-나이트로-2-nitrophenoL2-nitro-p-cresoMethyl-2-nitrophe2-NITRO-PARA-CRESOL2-Nitro-p-cresol>
DTXCID606961RefChem:477155204-315-64-METHYL-2-NITRO-PHENOLMFCD0000712012167-20-3Phenol, methylnitro-68137-08-6
데이터베이스 식별자
- CAS
119-33-5、12167-20-3、68137-08-6- PubChem CID
- 8391
- DTXSID
DTXSID0026961- ChEMBL
CHEMBL1234658- UNII
- P92KPK2NL3
- EC Number
- 204-315-6
- Nikkaji
- J36.829F
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 66.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 154
실험 및 물리화학적 성질
Vapor Pressure0.000632 [mmHg]
Physical DescriptionColorless solid; [EPA OHM/TADS] Yellow solid with a phenolic odor; mp = 32-35 deg C; [Alfa Aesar MSDS]
Kovats Retention Index
1249.8；1236.4；1241.3；1250；1260
1914；1919；1919；1922
물리화학적 성질
- 녹는점
- 32 · 32-35 °C(lit.)
- 끓는 점
- 234 °C · 234 °C
- 밀도
- 1.24 g/mL · 1.24 g/mL at 25 °C(lit.)
- 굴절률
- 1.5744 · 1.5744
- 인화점
- 227 °F · 227 °F
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 물에 약간 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.45 · 7.45±0.14(Predicted)
- Specific Gravity
- 1.24 · 1.24
- 수용성
- 약간 용해됨
- BRN
- 1868022 · 1868022
- Henry's Law Constant
- 6.7 · 6.7×10-1 mol/(m3Pa) at 25℃, Tremp et al. (1993)
- NIST
- 4 · Phenol, 4-methyl-2-nitro-(119-33-5)
- EPA
- 2 · 2-Nitro-p-cresol (119-33-5)
화학적 성질
yellow to brownish low melting crystalline mass
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Phenol, 4-methyl-2-nitro-
Status: Active Update: 01-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20348
Phenol, 4-methyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCorrosive to skin and mucous membranes: May cause kidney and liver injury; [EPA OHM/TADS] A skin and strong eye irritant; Harmful by skin absorption; [Alfa Aesar MSDS] See 2-Nitrophenol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.1%)
독성 정보
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.；Dermatotoxin - Skin burns.
규제 정보
Regulatory Information
Chemical: Phenol, 4-methyl-2-nitro-
Status: Active Update: 01-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20348
Phenol, 4-methyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GP2800000
- ridadr
- UN 2446 6.1/PG 3
- HS 번호
- 29089990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-45-28A
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-25984
- 위험 참고 사항
- Irritant
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
General Manufacturing InformationPhenol, 4-methyl-2-nitro-: ACTIVE
응용 분야
용도Intermediate.
제조 방법
생산 방법p-Toluidine is diazotized and hydrolyzed to p-cresol, which in the presence of nitrous acid forms 2-nitroso-p-cresol; the latter is readily oxidized in situ to 2-Nitro-p-cresol by addition of aqueous nitric acid.
상·하류 제품 정보
상류 원료
하류 제품
공급사22 곳
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
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上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
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艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
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上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北中隆康盛精细化工有限公司027-027-83850178 18162590268 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
腾鸿（山东）新材料有限公司1555-2555846 18265060865 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
南京奥泽化工有限公司15189842686 · [email protected]
武汉裕清嘉衡药业有限公司027-83855310 13476018176 · [email protected]
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