기본 정보
- 표준 SMILES
Nc1ccccc1C(F)(F)F- InChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-N- 분자식
- C7H6F3N
- 평균 분자량
- 161.12 g/mol
- 단동위원소 질량
- 161.04523385
개요
2-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- 2-(Trifluoromethyl)aniline
- IUPAC
- 2-(trifluoromethyl)aniline
- 현지명
- 2-아미노벤조트리플로라이드
- 영어명
- 2-Aminobenzotrifluoride
- 분자식
- C7H6F3N
- 분자량
- 161.12
이름 및 동의어
2-(TRIFLUOROMETHYL)ANILINE2-Aminobenzotrifluoride88-17-52-Trifluoromethylanilineo-(Trifluoromethyl)anilineBenzenamine, 2-(trifluoromethyl)-alpha,alpha,alpha-Trifluoro-o-toluidineCCRIS 28112-trifluoromethylphenylamineEINECS 201-806-72-TrifluromethylanilineAI3-26182
이름 더 보기
2-아미노벤조트리플로라이드2-아미노벤조트라이플루오라이드2-(trifluoromethyl)2-AminotrifluorotolueneO-AMINOBENZOTRIFLUORIDE2-(TrifLAKOS 911352-TrifluoroMetAKOS BBS-00004462TIMTEC-BB SBB0039552-Aminobenzotrifluor
I1R59842CENSC-10336UNII-I1R59842CEDTXSID7058961.alpha.,.alpha.,.alpha.-Trifluoro-o-toluidineEC 201-806-7UN 29422-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
데이터베이스 식별자
- CAS
88-17-5- PubChem CID
- 6922
- DTXSID
DTXSID7058961- ChEMBL
CHEMBL249549- UNII
- I1R59842CE
- EC Number
- 201-806-7
- Nikkaji
- J59.713I
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 2nd degree
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical Description2-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
물리화학적 성질
- 녹는점
- 34 °C · 34 °C(lit.)
- 끓는 점
- 170 · 170-173 °C(lit.)
- 밀도
- 1.282 g/mL · 1.282 g/mL at 25 °C(lit.)
- 증기압
- 2.1 · 2.1-12.1hPa at 20-50℃
- 굴절률
- 20 · n20/D 1.481(lit.)
- 인화점
- 131 °F · 131 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 4 g/L · 4g/L
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1.1 · 1.10±0.10(Predicted)
- Specific Gravity
- 1.282 · 1.282
- 색상
- 투명한 무색~연한 호박색
- 수용성
- 4 g/L · 4g/L(20℃)
- BRN
- 879494 · 879494
- InChI
- 1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
- InChIKey
- VBLXCTYLWZJBKA-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1C(F)(F)F
- LogP
- 2.32 at · 2.32 at 23℃ and pH7
- NIST
- 2 · Benzenamine, 2-(trifluoromethyl)-(88-17-5)
- EPA
- o-(Trifluoromethyl)aniline (88-17-5)
화학적 성질
clear colorless to light amber liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.
Danger
H226 (64%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 236 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11316
2-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide2942 153
Reactive GroupFluorinated Organic Compounds
Reactivity Profile
2-TRIFLUOROMETHYLANILINE is a trifluoromethyl- and amine-substituted aromatic compound. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
2-Trifluoromethylaniline
UN2942
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (64%)
Flammable agents - 2nd degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XU9210000
- ridadr
- UN 2942
- HS 번호
- 29214300
- risk_code
- 10-23/24/25-33-36/37/38-22-20/21/22
- hazard_code
- T,Xi,Xn,F
- safety_code
- 36/37/39-45-37/39-26-16-36
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- 97-3-13
- 위험 참고 사항
- Toxic/Irritant
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1BSTOT RE 2 Oral
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenamine, 2-(trifluoromethyl)-: ACTIVE
응용 분야
일반 설명A colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
山东科研制药有限公司13053388919
杭州福屿医药科技有限公司0571-8535-0733 19357571632 · [email protected]
宁太化工（山东）有限公司15314216173
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海易盛汇生物医药科技有限公司021-61453981 0316-7696480 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
安徽科迪达化工有限公司0554-2106669 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津安浩生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
관련 반응
112건
연결된 노트
불러오는 중…