Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-아미노벤조트리플로라이드
2-아미노벤조트리플로라이드 · 2-아미노벤조트라이플루오라이드 · 2-(TRIFLUOROMETHYL)ANILINE · 2-(trifluoromethyl) · 2-Aminotrifluorotoluene · O-AMINOBENZOTRIFLUORIDE · 2-(TrifL · AKOS 91135
식별자 및 물리적 특성
| CAS No. | 88-17-5 |
|---|---|
| 분자식 | C7H6F3N |
| 평균 분자량 | 161.12 g/mol |
| 단동위원소 질량 | 161.04523385 g/mol |
| SMILES | Nc1ccccc1C(F)(F)F |
| InChIKey | VBLXCTYLWZJBKA-UHFFFAOYSA-N |
| PubChem CID | 6922 |
| ChEMBL | CHEMBL249549 |
| EC No. | 201-806-7 |
| DTXSID | DTXSID7058961 |
| 현지명 | 2-아미노벤조트리플로라이드 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 132 |
| 물질 분류 | Flammable agents - 2nd degree |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | 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. |
| 녹는점 | 34 °C(lit.) |
| 끓는 점 | 170-173 °C(lit.) |
| 밀도 | 1.282 g/mL at 25 °C(lit.) |
| 증기압 | 2.1-12.1hPa at 20-50℃ |
| 굴절률 | n20/D 1.481(lit.) |
| 인화점 | 131 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 4g/L |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 1.10±0.10(Predicted) |
| 비중 | 1.282 |
| 색상 | 투명한 무색~연한 호박색 |
| 용해도 | 4g/L(20℃) |
| BRN | 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(분배 계수) | 2.32 at 23℃ and pH7 |
| NIST | 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 | This chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.DangerH226 (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. |
|---|---|
| 규제 정보 | Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/113162-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 운송 번호 및 가이드(DOT) | 2942 153 |
| 반응성 그룹 | Fluorinated 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-TrifluoromethylanilineUN2942Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (64%)Flammable agents - 2nd degree |
| 소화 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 누출 비상 조치 | · 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. |
| 응급 처치 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 비화재 누출 대응 | Excerpt 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 Guidelines | Small Fire |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XU9210000 |
| 운송 번호(UN) | UN 2942 |
| 관세 코드 | 29214300 |
| 위험 문구(R) | 10-23/24/25-33-36/37/38-22-20/21/22 |
| 위험 표시 | T,Xi,Xn,F |
| 안전 문구(S) | 36/37/39-45-37/39-26-16-36 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1BSTOT RE 2 Oral |
| 기존화학 물질 | 97-3-13 |
| 위험 참고 사항 | Toxic/Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
일반 설명
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.