기본 정보
- 표준 SMILES
NCCNCCNCCNCCNCCN- InChIKey
LSHROXHEILXKHM-UHFFFAOYSA-N- 분자식
- C10H28N6
- 평균 분자량
- 232.37 g/mol
- 단동위원소 질량
- 232.2375449
개요
Yellowish liquid with an odor of ammonia. (USCG, 1999)
이름 및 식별자
- 우선 이름
- Pentaethylenehexamine
- IUPAC
- N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
- 현지명
- 펜타에틸렌헥사민
- 영어명
- PENTAETHYLENEHEXAMINE
- 분자식
- C10H28N6
- 분자량
- 232.37
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4067-16-7- PubChem CID
- 19990
- DTXSID
DTXSID7025843- ChEMBL
CHEMBL65184- UNII
- 9K5VZU43LE
- EC Number
- 223-775-9
- Nikkaji
- J13.726J
물성
구조 계산 물성
- XLogP
- -3.4
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 108
실험 및 물리화학적 성질
Physical Description
Yellowish liquid with an odor of ammonia. (USCG, 1999)
Liquid
물리화학적 성질
- 녹는점
- -35 °C · -35 °C
- 끓는 점
- 380 °C · 380 °C
- 밀도
- 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
- 증기압
- 1 hPa · <1 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.5096(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 20 °C에서 · 물: 20°C에서 용해성500g/L
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.07 · 10.07±0.19(Predicted)
- 색상
- 맑은 노란색
- 수소이온지수(pH)
- 11 · 11 (10g/l, H2O)
- 수용성
- 500 g/L · water: soluble 500g/L at20°C
- BRN
- 1768042 · 1768042
- 안정성
- 안정적인. 강한 산화제, 강산과 호환되지 않습니다.
- InChI
- 1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
- InChIKey
- LSHROXHEILXKHM-UHFFFAOYSA-N
- SMILES
- N(CCNCCNCCN)CCNCCN
- EPA
- Pentaethylenehexamine (4067-16-7)
화학적 성질
dark yellow-green liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (63.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 3,6,9,12-Tetraazatetradecane-1,14-diamine
3,6,9,12-Tetraazatetradecane-1,14-diamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraazatetradecane-1,14-diamine 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)
Pentaethylenehexamine: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
Contact with eyes can cause slight to moderate irritation and possible burns. May cause transient fogging of the eyes as a result of corneal edema, which is reversible. May cause moderate skin irritation or allergic skin reaction with symptoms of redness, itching, swelling, or rash. Vapors may irritate the eyes, nose, throat, and respiratory tract. May cause coughing, headache, nausea and vomiting. If swallowed, may cause nausea, vomiting and abdominal pain. May cause burns of the mouth, throat, esophagus, and stomach. (USCG, 1999)
Reactivity Profile
PENTAETHYLENEHEXAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Acute Tox. 4 (63.8%)
Skin corrosion - category 1B
Acute toxicity (Oral) - Category 4
Skin Corr. 1B
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, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper and any clothing which may have been contaminated in a vapor-tight plastic bag for eventual disposal. Wash contaminated surfaces with a strong 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.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RZ2680000
- ridadr
- UN 2735 8/PG 3
- 독성
- LD50 orl-rat: 1600 mg/kg 37ASAA 7,580,79
- HS 번호
- 29211999
- risk_code
- 34-43-50/53-21/22
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-60-61
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-33247
- 자연 발화 온도
- 360 °C
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1
- 스토리지 클래스
- 8A - Combustible, corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
Asphalt Paving, Roofing, and Coating Materials Manufacturing
3,6,9,12-Tetraazatetradecane-1,14-diamine: ACTIVE
응용 분야
용도5.Pentaethylenehexamine has been used in the preparation of:polyisobutylene succinimide (PIBSI) dispersants, used as engine oil-additivespoly(glycidyl methacrylate) (P(GMA)) homopolymerspoly(amidoamine)s
일반 설명Yellowish liquid with an odor of ammonia.
공급사50 곳
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